2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C17H12F3N3O2S2 — CID 46803554

IUPAC2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C17H12F3N3O2S2/c18-17(19,20)9-21-14(24)10-3-5-11(6-4-10)22-15(25)12-8-27-16(23-12)13-2-1-7-26-13/h1-8H,9H2,(H,21,24)(H,22,25)
InChIKeyKMKWBYASODBGNQ-UHFFFAOYSA-N
MW411.43 g/mol
LogP4.42
Rot. Bonds5

About 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46803554) has the molecular formula C17H12F3N3O2S2 and a molecular weight of 411.43 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46803554
Molecular FormulaC17H12F3N3O2S2
Molecular Weight411.43 g/mol
Exact Mass411.03
IUPAC Name2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1
InChIInChI=1S/C17H12F3N3O2S2/c18-17(19,20)9-21-14(24)10-3-5-11(6-4-10)22-15(25)12-8-27-16(23-12)13-2-1-7-26-13/h1-8H,9H2,(H,21,24)(H,22,25)
InChIKeyKMKWBYASODBGNQ-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
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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
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N-(4-phenoxyphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 117094559
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38197538
1-(4-chlorophenyl)-3-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 2743958
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9265979
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[4-(dimethylamino)-3,5-difluorophenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 46803554) is 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(NCC(F)(F)F)c1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1.
What is the InChIKey of 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KMKWBYASODBGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2S2/c18-17(19,20)9-21-14(24)10-3-5-11(6-4-10)22-15(25)12-8-27-16(23-12)13-2-1-7-26-13/h1-8H,9H2,(H,21,24)(H,22,25).
What are the key properties of 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46803554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).