| CAS Number | 1914971-16-6 |
| Catalog Number | AG01EPIN(AGN-PC-3H46P0) |
| Chemical Name | N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-1-piperazinecarbothioamide |
| IUPAC Name | N-(4,6-dimethylpyridin-2-yl)-4-pyridin-4-ylpiperazine-1-carbothioamide |
| InChI | InChI=1S/C17H21N5S/c1-13-11-14(2)19-16(12-13)20-17(23)22-9-7-21(8-10-22)15-3-5-18-6-4-15/h3-6,11-12H,7-10H2,1-2H3,(H,19,20,23) |
| InChI Key | ITLPIAAGIQAGRA-UHFFFAOYSA-N |
| MDL Number | MFCD30343877 |
| Molecular Formula | C17H21N5S |
| Molecular Weight | 327.4471 |
| SMILES | CC1=CC(=NC(=C1)C)NC(=S)N1CCN(CC1)C1=CC=NC=C1 |
| Synonyms | PHGDH-inactive,
N-(4,6-dimethylpyridin-2-yl)-4-pyridin-4-ylpiperazine-1-carbothioamide,
CHEMBL3559931,
SCHEMBL17927189,
BDBM195607,
ZINC198405642,
NCGC00242266-01,
NCT-503 Inactive Control, >=98% (HPLC),
N-(4,6-dimethyl-2-pyridinyl)-4-(4-pyridinyl)-1-piperazinecarbothioamide,
1914971-16-6,
|
| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.45g/mol |
| Monoisotopic Mass | 327.152g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number