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

C15H12N2O2S2 — CID 17417571

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccsc3)n2)cc1
InChIInChI=1S/C15H12N2O2S2/c1-19-12-4-2-10(3-5-12)13-9-21-15(16-13)17-14(18)11-6-7-20-8-11/h2-9H,1H3,(H,16,17,18)
InChIKeyQVEGXOKTRQECHZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.13
Rot. Bonds4

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide (PubChem CID 17417571) has the molecular formula C15H12N2O2S2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
PubChem CID17417571
Molecular FormulaC15H12N2O2S2
Molecular Weight316.41 g/mol
Exact Mass316.03
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccsc3)n2)cc1
InChIInChI=1S/C15H12N2O2S2/c1-19-12-4-2-10(3-5-12)13-9-21-15(16-13)17-14(18)11-6-7-20-8-11/h2-9H,1H3,(H,16,17,18)
InChIKeyQVEGXOKTRQECHZ-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4826765
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
3-(4-methoxyphenyl)-4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 139050491
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
methyl 6-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 43049637
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 21008252

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide (CID 17417571) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccsc3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is QVEGXOKTRQECHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S2/c1-19-12-4-2-10(3-5-12)13-9-21-15(16-13)17-14(18)11-6-7-20-8-11/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 17417571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).