| CAS Number | 127268-04-6 |
| Catalog Number | AG019X6F(AGN-PC-0WO903) |
| Chemical Name | 1-(4-Methyl-1,3-thiazol-2-yl)-1,4-diazepane |
| IUPAC Name | 2-(1,4-diazepan-1-yl)-4-methyl-1,3-thiazole |
| InChI | InChI=1S/C9H15N3S/c1-8-7-13-9(11-8)12-5-2-3-10-4-6-12/h7,10H,2-6H2,1H3 |
| InChI Key | AOOHBXBPTPTBLB-UHFFFAOYSA-N |
| MDL Number | MFCD09734448 |
| Molecular Formula | C9H15N3S |
| Molecular Weight | 197.3005 |
| SMILES | CC1N=C(N2CCNCCC2)SC=1 |
| Synonyms | 1-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane,
127268-04-6,
2-(1,4-diazepan-1-yl)-4-methyl-1,3-thiazole,
AC1Q2OMA,
SCHEMBL9794803,
CTK6C3774,
ZINC22210751,
AKOS000144633,
MCULE-7088710808,
NE51178,
EN300-54163,
Z818810474,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.3g/mol |
| Monoisotopic Mass | 197.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number