N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

C17H15N3O3S — CID 48846338

IUPACN-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C17H15N3O3S/c1-22-14-7-6-11(9-15(14)23-2)19-16(21)13-10-24-17(20-13)12-5-3-4-8-18-12/h3-10H,1-2H3,(H,19,21)
InChIKeyMIMAWCREAUYBGH-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.47
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide

N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 48846338) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID48846338
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C17H15N3O3S/c1-22-14-7-6-11(9-15(14)23-2)19-16(21)13-10-24-17(20-13)12-5-3-4-8-18-12/h3-10H,1-2H3,(H,19,21)
InChIKeyMIMAWCREAUYBGH-UHFFFAOYSA-N
XLogP3.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846766
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
2-(2,3-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 24671897
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48846690
N-(4-ethylphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110649811
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
N-(3-carbamoyl-4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46423829
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329818
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
2-(3,4-dimethoxyanilino)-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16955410
6-chloro-N-(3,4-dimethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 2220682

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide (CID 48846338) is N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is COc1ccc(NC(=O)c2csc(-c3ccccn3)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is MIMAWCREAUYBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-14-7-6-11(9-15(14)23-2)19-16(21)13-10-24-17(20-13)12-5-3-4-8-18-12/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide?
N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 48846338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).