(4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide

C16H15F2N3O2S3 — CID 95152267

IUPAC(4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(SC(F)F)cc2)s1
InChIInChI=1S/C16H15F2N3O2S3/c1-9-6-19-16(25-9)20-13(22)12-7-24-8-21(12)14(23)10-2-4-11(5-3-10)26-15(17)18/h2-6,12,15H,7-8H2,1H3,(H,19,20,22)/t12-/m1/s1
InChIKeyVDNNEMLQDUAVQA-GFCCVEGCSA-N
MW415.51 g/mol
LogP3.92
Rot. Bonds5

About (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide

(4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95152267) has the molecular formula C16H15F2N3O2S3 and a molecular weight of 415.51 g/mol. Its IUPAC name is (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID95152267
Molecular FormulaC16H15F2N3O2S3
Molecular Weight415.51 g/mol
Exact Mass415.03
IUPAC Name(4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(SC(F)F)cc2)s1
InChIInChI=1S/C16H15F2N3O2S3/c1-9-6-19-16(25-9)20-13(22)12-7-24-8-21(12)14(23)10-2-4-11(5-3-10)26-15(17)18/h2-6,12,15H,7-8H2,1H3,(H,19,20,22)/t12-/m1/s1
InChIKeyVDNNEMLQDUAVQA-GFCCVEGCSA-N
XLogP3.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 166218683
(4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide
CID 95621129
(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 95293035
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193
3-[4-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359320
4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904543
4-[4-(tert-butylcarbamoyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 119183811
3-benzoyl-N-(4-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3548133
(4R)-3-(4-ethoxybenzoyl)-N-(2-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97312987
3-(4-tert-butylbenzoyl)-N-(2-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 42745326
3-(4-propan-2-ylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 24693101
3-benzoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 55509767

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide (CID 95152267) is (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide is Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(SC(F)F)cc2)s1.
What is the InChIKey of (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is VDNNEMLQDUAVQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15F2N3O2S3/c1-9-6-19-16(25-9)20-13(22)12-7-24-8-21(12)14(23)10-2-4-11(5-3-10)26-15(17)18/h2-6,12,15H,7-8H2,1H3,(H,19,20,22)/t12-/m1/s1.
What are the key properties of (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95152267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).