6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

C12H13ClN4OS — CID 55041466

IUPAC6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cnc(N)c(Cl)c2)cs1
InChIInChI=1S/C12H13ClN4OS/c1-7-16-9(6-19-7)5-17(2)12(18)8-3-10(13)11(14)15-4-8/h3-4,6H,5H2,1-2H3,(H2,14,15)
InChIKeySTFSZWGMVCRRRN-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.35
Rot. Bonds3

About 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 55041466) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID55041466
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2cnc(N)c(Cl)c2)cs1
InChIInChI=1S/C12H13ClN4OS/c1-7-16-9(6-19-7)5-17(2)12(18)8-3-10(13)11(14)15-4-8/h3-4,6H,5H2,1-2H3,(H2,14,15)
InChIKeySTFSZWGMVCRRRN-UHFFFAOYSA-N
XLogP2.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47442951
5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 90648411
2,5-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114918306
3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-nitrobenzamide
CID 82778780
6-amino-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 62160527
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
3,4-dimethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 110718140
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
5-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80614966
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525434
4-amino-N,5-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55034476
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 77005170

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 55041466) is 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is Cc1nc(CN(C)C(=O)c2cnc(N)c(Cl)c2)cs1.
What is the InChIKey of 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is STFSZWGMVCRRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-7-16-9(6-19-7)5-17(2)12(18)8-3-10(13)11(14)15-4-8/h3-4,6H,5H2,1-2H3,(H2,14,15).
What are the key properties of 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55041466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).