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

C16H18N2OS2 — CID 816261

IUPAC(2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)N2CCS[C@@H]2c2cccs2)cc1
InChIInChI=1S/C16H18N2OS2/c1-2-12-5-7-13(8-6-12)17-16(19)18-9-11-21-15(18)14-4-3-10-20-14/h3-8,10,15H,2,9,11H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyBQJPBKSQTFRQSA-OAHLLOKOSA-N
MW318.47 g/mol
LogP4.59
Rot. Bonds3

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

(2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide (PubChem CID 816261) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is (2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
PubChem CID816261
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC Name(2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
SMILESCCc1ccc(NC(=O)N2CCS[C@@H]2c2cccs2)cc1
InChIInChI=1S/C16H18N2OS2/c1-2-12-5-7-13(8-6-12)17-16(19)18-9-11-21-15(18)14-4-3-10-20-14/h3-8,10,15H,2,9,11H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyBQJPBKSQTFRQSA-OAHLLOKOSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-ethylphenyl)-2-(furan-2-yl)-1,3-thiazolidine-3-carboxamide
CID 7238198
(2R)-N-(4-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028914
(2R)-N-(3,4-difluorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 816275
(2S)-N-(4-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503073
N-(4-ethylphenyl)-2-(2,4,5-trimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330645
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 42781183
(4-pentylphenyl)-[(2R)-2-thiophen-2-yl-1,3-thiazolidin-3-yl]methanone
CID 7360731
N,N-dimethyl-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide
CID 42781016
(2R)-N-(4-chlorophenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carbothioamide
CID 778002
(2R)-2-(5-methylthiophen-2-yl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7356533
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
N-(4-ethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965006

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide (CID 816261) is (2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide is CCc1ccc(NC(=O)N2CCS[C@@H]2c2cccs2)cc1.
What is the InChIKey of (2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide?
The InChIKey is BQJPBKSQTFRQSA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-2-12-5-7-13(8-6-12)17-16(19)18-9-11-21-15(18)14-4-3-10-20-14/h3-8,10,15H,2,9,11H2,1H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide?
(2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethylphenyl)-2-thiophen-2-yl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 816261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).