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

C12H13ClN4OS — CID 114923776

IUPAC2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1csc(C(C)NC(=O)c2cc(N)ncc2Cl)n1
InChIInChI=1S/C12H13ClN4OS/c1-6-5-19-12(16-6)7(2)17-11(18)8-3-10(14)15-4-9(8)13/h3-5,7H,1-2H3,(H2,14,15)(H,17,18)
InChIKeyDISSLCFGZUITBE-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.57
Rot. Bonds3

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

2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114923776) has the molecular formula C12H13ClN4OS and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID114923776
Molecular FormulaC12H13ClN4OS
Molecular Weight296.78 g/mol
Exact Mass296.05
IUPAC Name2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCc1csc(C(C)NC(=O)c2cc(N)ncc2Cl)n1
InChIInChI=1S/C12H13ClN4OS/c1-6-5-19-12(16-6)7(2)17-11(18)8-3-10(14)15-4-9(8)13/h3-5,7H,1-2H3,(H2,14,15)(H,17,18)
InChIKeyDISSLCFGZUITBE-UHFFFAOYSA-N
XLogP2.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 114922653
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
2-amino-5-chloro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114921737
2-amino-5-chloro-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 114924418
2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114922476
2-amino-5-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 114923822
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
3-fluoro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 115646115
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (CID 114923776) is 2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is Cc1csc(C(C)NC(=O)c2cc(N)ncc2Cl)n1.
What is the InChIKey of 2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is DISSLCFGZUITBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4OS/c1-6-5-19-12(16-6)7(2)17-11(18)8-3-10(14)15-4-9(8)13/h3-5,7H,1-2H3,(H2,14,15)(H,17,18).
What are the key properties of 2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 296.78 g/mol, XLogP of 2.57, 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-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114923776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).