2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide

C11H11ClN4OS — CID 62159832

IUPAC2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H11ClN4OS/c1-16(4-8-5-18-6-14-8)11(17)7-2-9(12)15-10(13)3-7/h2-3,5-6H,4H2,1H3,(H2,13,15)
InChIKeyYQQHNCWPEUMYOC-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.05
Rot. Bonds3

About 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide

2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 62159832) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
PubChem CID62159832
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1cscn1)C(=O)c1cc(N)nc(Cl)c1
InChIInChI=1S/C11H11ClN4OS/c1-16(4-8-5-18-6-14-8)11(17)7-2-9(12)15-10(13)3-7/h2-3,5-6H,4H2,1H3,(H2,13,15)
InChIKeyYQQHNCWPEUMYOC-UHFFFAOYSA-N
XLogP2.05
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013795
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81089891
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
2-amino-6-chloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 62154274
2-amino-6-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64517569
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
2-amino-6-chloro-N-(2-cyanoethyl)-N-methylpyridine-4-carboxamide
CID 62153601
2-amino-6-chloro-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62155974
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide (CID 62159832) is 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide is CN(Cc1cscn1)C(=O)c1cc(N)nc(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is YQQHNCWPEUMYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-16(4-8-5-18-6-14-8)11(17)7-2-9(12)15-10(13)3-7/h2-3,5-6H,4H2,1H3,(H2,13,15).
What are the key properties of 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 282.76 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 62159832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).