N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide

C13H14ClN3OS — CID 2800686

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccnc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3OS/c1-13(2,3)9-7-19-12(16-9)17-11(18)8-4-5-15-10(14)6-8/h4-7H,1-3H3,(H,16,17,18)
InChIKeyJFEZTGLPSPSCAG-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.74
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide (PubChem CID 2800686) has the molecular formula C13H14ClN3OS and a molecular weight of 295.80 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
PubChem CID2800686
Molecular FormulaC13H14ClN3OS
Molecular Weight295.80 g/mol
Exact Mass295.05
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccnc(Cl)c2)n1
InChIInChI=1S/C13H14ClN3OS/c1-13(2,3)9-7-19-12(16-9)17-11(18)8-4-5-15-10(14)6-8/h4-7H,1-3H3,(H,16,17,18)
InChIKeyJFEZTGLPSPSCAG-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 114326356
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 2477287
2-chloro-N-[4-(2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442503
2-chloro-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696154
N-(4-tert-butyl-1,3-thiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 4133466
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chloro-3-nitrobenzamide
CID 867878
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloro-5-methylsulfanylbenzamide
CID 26243504
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806
4-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylsulfonylbenzamide
CID 86875148

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide (CID 2800686) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide is CC(C)(C)c1csc(NC(=O)c2ccnc(Cl)c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide?
The InChIKey is JFEZTGLPSPSCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/c1-13(2,3)9-7-19-12(16-9)17-11(18)8-4-5-15-10(14)6-8/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide has a molecular weight of 295.80 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-4-carboxamide is sourced from PubChem (CID 2800686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).