6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide

C14H17ClN4OS — CID 133294775

IUPAC6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide
SMILESCC(C)(C)c1csc(CNc2ncc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C14H17ClN4OS/c1-14(2,3)10-7-21-11(19-10)6-18-13-9(15)4-8(5-17-13)12(16)20/h4-5,7H,6H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyFIBMQGBPISNIJR-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.20
Rot. Bonds4

About 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide

6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide (PubChem CID 133294775) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide
PubChem CID133294775
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide
SMILESCC(C)(C)c1csc(CNc2ncc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C14H17ClN4OS/c1-14(2,3)10-7-21-11(19-10)6-18-13-9(15)4-8(5-17-13)12(16)20/h4-5,7H,6H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyFIBMQGBPISNIJR-UHFFFAOYSA-N
XLogP3.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
5-chloro-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridine-3-carboxamide
CID 56816532
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
3,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 60706662
5-chloro-6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxamide
CID 133325951
5-chloro-6-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carboxamide
CID 133349938
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
4-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 167764172
5-chloro-6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133444908
2-[(4-carbamoyl-2-chloroanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380508

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide (CID 133294775) is 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide is CC(C)(C)c1csc(CNc2ncc(C(N)=O)cc2Cl)n1.
What is the InChIKey of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide?
The InChIKey is FIBMQGBPISNIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-14(2,3)10-7-21-11(19-10)6-18-13-9(15)4-8(5-17-13)12(16)20/h4-5,7H,6H2,1-3H3,(H2,16,20)(H,17,18).
What are the key properties of 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide?
6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 133294775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).