N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide

C19H18ClN3OS — CID 4098660

IUPACN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN3OS/c1-19(2,3)13-8-6-12(7-9-13)15-11-25-18(22-15)23-17(24)14-5-4-10-21-16(14)20/h4-11H,1-3H3,(H,22,23,24)
InChIKeyFTRRRHVZOZFTFE-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.41
Rot. Bonds3

About N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide (PubChem CID 4098660) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
PubChem CID4098660
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)cc1
InChIInChI=1S/C19H18ClN3OS/c1-19(2,3)13-8-6-12(7-9-13)15-11-25-18(22-15)23-17(24)14-5-4-10-21-16(14)20/h4-11H,1-3H3,(H,22,23,24)
InChIKeyFTRRRHVZOZFTFE-UHFFFAOYSA-N
XLogP5.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.41
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-chloro-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 134041379
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 55435009
methyl 3-[2-[[2-(4-tert-butylphenyl)pyridine-3-carbonyl]amino]-1,3-thiazol-4-yl]benzoate
CID 87673985
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838906
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
4-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19173152
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4156836

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide?
The IUPAC name of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide (CID 4098660) is N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide is CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccnc3Cl)n2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide?
The InChIKey is FTRRRHVZOZFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-19(2,3)13-8-6-12(7-9-13)15-11-25-18(22-15)23-17(24)14-5-4-10-21-16(14)20/h4-11H,1-3H3,(H,22,23,24).
What are the key properties of N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide?
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide has a molecular weight of 371.89 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 4098660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).