N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C16H13N3O2S — CID 19196276

IUPACN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)c3ccncc3)n2)c1
InChIInChI=1S/C16H13N3O2S/c1-21-13-4-2-3-12(9-13)14-10-22-16(18-14)19-15(20)11-5-7-17-8-6-11/h2-10H,1H3,(H,18,19,20)
InChIKeyVUVHSJRDMATOOL-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds4

About N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 19196276) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID19196276
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCOc1cccc(-c2csc(NC(=O)c3ccncc3)n2)c1
InChIInChI=1S/C16H13N3O2S/c1-21-13-4-2-3-12(9-13)14-10-22-16(18-14)19-15(20)11-5-7-17-8-6-11/h2-10H,1H3,(H,18,19,20)
InChIKeyVUVHSJRDMATOOL-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-dioxoisoindol-2-yl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 19197395
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442481
2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 110452105
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089476
3-methoxy-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041751
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;hydrochloride
CID 87406316
3-methoxy-N-[3-[1-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18899575

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 19196276) is N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is COc1cccc(-c2csc(NC(=O)c3ccncc3)n2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is VUVHSJRDMATOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-13-4-2-3-12(9-13)14-10-22-16(18-14)19-15(20)11-5-7-17-8-6-11/h2-10H,1H3,(H,18,19,20).
What are the key properties of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 19196276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).