N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C17H15N3O3S — CID 110409324

IUPACN-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C17H15N3O3S/c1-22-12-3-4-15(23-2)13(9-12)19-16(21)14-10-24-17(20-14)11-5-7-18-8-6-11/h3-10H,1-2H3,(H,19,21)
InChIKeyXNHCSCWGEBDIQD-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.47
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 110409324) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID110409324
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C17H15N3O3S/c1-22-12-3-4-15(23-2)13(9-12)19-16(21)14-10-24-17(20-14)11-5-7-18-8-6-11/h3-10H,1-2H3,(H,19,21)
InChIKeyXNHCSCWGEBDIQD-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-(5-chloro-2-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 110650167
N-(2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 17417805
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
N-(4-fluoro-2-methoxyphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 32610380
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55725770
2-(4-methoxyphenyl)-N-[3-(pyridine-4-carbonylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 39186590
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278
2-[(3,5-dimethoxybenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16915286
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 55442466
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N-(2,5-dimethoxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506217
N-(2,5-dimethyl-4-pyridinyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 167821309

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 110409324) is N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is COc1ccc(OC)c(NC(=O)c2csc(-c3ccncc3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XNHCSCWGEBDIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-22-12-3-4-15(23-2)13(9-12)19-16(21)14-10-24-17(20-14)11-5-7-18-8-6-11/h3-10H,1-2H3,(H,19,21).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-pyridin-4-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-(2,5-dimethoxyphenyl)-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110409324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).