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

C16H14N2OS2 — CID 9047021

IUPACN-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H14N2OS2/c1-2-11-6-3-4-7-12(11)17-15(19)13-10-21-16(18-13)14-8-5-9-20-14/h3-10H,2H2,1H3,(H,17,19)
InChIKeyXSRBFVMDMGQPLX-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.69
Rot. Bonds4

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

N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 9047021) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID9047021
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H14N2OS2/c1-2-11-6-3-4-7-12(11)17-15(19)13-10-21-16(18-13)14-8-5-9-20-14/h3-10H,2H2,1H3,(H,17,19)
InChIKeyXSRBFVMDMGQPLX-UHFFFAOYSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126661530
N-[2-(2-methylpropoxy)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55887676
N-quinolin-8-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 17447095
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298
N-(5-fluoro-2-methylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9045051
N-[2-(4-carbamoylphenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71142324
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
N-[2-(3-aminoazetidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098037
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55467216
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 8976815

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 9047021) is N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is CCc1ccccc1NC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XSRBFVMDMGQPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-2-11-6-3-4-7-12(11)17-15(19)13-10-21-16(18-13)14-8-5-9-20-14/h3-10H,2H2,1H3,(H,17,19).
What are the key properties of N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 9047021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).