| CAS Number | 554439-45-1 |
| Catalog Number | AG00I9WC |
| Chemical Name | 2-(piperidin-1-yl)-4-(thiophen-2-yl)-1,3-thiazole-5-carbaldehyde |
| IUPAC Name | 2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazole-5-carbaldehyde |
| InChI | InChI=1S/C13H14N2OS2/c16-9-11-12(10-5-4-8-17-10)14-13(18-11)15-6-2-1-3-7-15/h4-5,8-9H,1-3,6-7H2 |
| InChI Key | WYNISQYKXXYJSY-UHFFFAOYSA-N |
| MDL Number | MFCD03988529 |
| Molecular Formula | C13H14N2OS2 |
| Molecular Weight | 278.3931 |
| SMILES | O=CC1=C(C2SC=CC=2)N=C(N2CCCCC2)S1 |
| Synonyms | 2-(piperidin-1-yl)-4-(thiophen-2-yl)-1,3-thiazole-5-carbaldehyde,
554439-45-1,
2-Piperidin-1-yl-4-thiophen-2-yl-thiazole-5-carbaldehyde,
AC1Q6PR2,
AC1M734J,
CTK7I0644,
ZINC3319055,
MFCD03988529,
AKOS008966965,
MCULE-1665158022,
NE48110,
EN300-04836,
SR-01000044052,
SR-01000044052-1,
2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazole-5-carbaldehyde,
ZINC03319055,
CID2434802,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.388g/mol |
| Monoisotopic Mass | 278.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 89.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number