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

C11H11ClN4OS — CID 114922785

IUPAC2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(N)ncc2Cl)s1
InChIInChI=1S/C11H11ClN4OS/c1-6-14-3-7(18-6)4-16-11(17)8-2-10(13)15-5-9(8)12/h2-3,5H,4H2,1H3,(H2,13,15)(H,16,17)
InChIKeyJCNRFATXGAFBPY-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.01
Rot. Bonds3

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

2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide (PubChem CID 114922785) has the molecular formula C11H11ClN4OS and a molecular weight of 282.76 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
PubChem CID114922785
Molecular FormulaC11H11ClN4OS
Molecular Weight282.76 g/mol
Exact Mass282.03
IUPAC Name2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
SMILESCc1ncc(CNC(=O)c2cc(N)ncc2Cl)s1
InChIInChI=1S/C11H11ClN4OS/c1-6-14-3-7(18-6)4-16-11(17)8-2-10(13)15-5-9(8)12/h2-3,5H,4H2,1H3,(H2,13,15)(H,16,17)
InChIKeyJCNRFATXGAFBPY-UHFFFAOYSA-N
XLogP2.01
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855023
2-amino-5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114923513
2-amino-5-chloro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 114922128
2-amino-5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
CID 106377371
5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61225336
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
3-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64524682
2,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114918600
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 115413011
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 114922239

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide (CID 114922785) is 2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide is Cc1ncc(CNC(=O)c2cc(N)ncc2Cl)s1.
What is the InChIKey of 2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide?
The InChIKey is JCNRFATXGAFBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4OS/c1-6-14-3-7(18-6)4-16-11(17)8-2-10(13)15-5-9(8)12/h2-3,5H,4H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide has a molecular weight of 282.76 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114922785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).