N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

C16H12ClN3O3S — CID 127254446

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1=O
InChIInChI=1S/C16H12ClN3O3S/c1-23-14-7-18-11(6-13(14)21)15(22)20-16-19-12(8-24-16)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,21)(H,19,20,22)
InChIKeyZOUXUKZUCQGKMH-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.41
Rot. Bonds4

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 127254446) has the molecular formula C16H12ClN3O3S and a molecular weight of 361.81 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
PubChem CID127254446
Molecular FormulaC16H12ClN3O3S
Molecular Weight361.81 g/mol
Exact Mass361.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
SMILESCOc1c[nH]c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1=O
InChIInChI=1S/C16H12ClN3O3S/c1-23-14-7-18-11(6-13(14)21)15(22)20-16-19-12(8-24-16)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,21)(H,19,20,22)
InChIKeyZOUXUKZUCQGKMH-UHFFFAOYSA-N
XLogP3.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-chlorophenyl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-pyridine-2-carboxamide
CID 52898168
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxy-4-nitrosobenzamide
CID 126537627
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
4-acetyl-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 2321966
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 3542120
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide (CID 127254446) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is COc1c[nH]c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1=O.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is ZOUXUKZUCQGKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3S/c1-23-14-7-18-11(6-13(14)21)15(22)20-16-19-12(8-24-16)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 361.81 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 127254446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).