N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C20H14N2O2S2 — CID 117094559

IUPACN-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C20H14N2O2S2/c23-19(17-13-26-20(22-17)18-7-4-12-25-18)21-14-8-10-16(11-9-14)24-15-5-2-1-3-6-15/h1-13H,(H,21,23)
InChIKeySEHJVKPQIHAADO-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.92
Rot. Bonds5

About N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 117094559) has the molecular formula C20H14N2O2S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID117094559
Molecular FormulaC20H14N2O2S2
Molecular Weight378.48 g/mol
Exact Mass378.05
IUPAC NameN-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(-c2cccs2)n1
InChIInChI=1S/C20H14N2O2S2/c23-19(17-13-26-20(22-17)18-7-4-12-25-18)21-14-8-10-16(11-9-14)24-15-5-2-1-3-6-15/h1-13H,(H,21,23)
InChIKeySEHJVKPQIHAADO-UHFFFAOYSA-N
XLogP5.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-(4-nitrophenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 43032437
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38197538
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 2743958
N-(4-acetamidophenyl)-2-phenoxy-1,3-thiazole-4-carboxamide
CID 117092780
2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46803554
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
N-(3-acetamido-4-methoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 33311200
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27825760
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24513683

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 117094559) is N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is SEHJVKPQIHAADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2S2/c23-19(17-13-26-20(22-17)18-7-4-12-25-18)21-14-8-10-16(11-9-14)24-15-5-2-1-3-6-15/h1-13H,(H,21,23).
What are the key properties of N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 117094559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).