(4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide

C17H17ClN4O2S2 — CID 31988319

IUPAC(4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)n1
InChIInChI=1S/C17H17ClN4O2S2/c1-25-17-20-8-12(18)14(21-17)16(24)22-10-26-9-13(22)15(23)19-7-11-5-3-2-4-6-11/h2-6,8,13H,7,9-10H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyFCBBISMVWJGIFN-CYBMUJFWSA-N
MW408.94 g/mol
LogP2.68
Rot. Bonds5

About (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 31988319) has the molecular formula C17H17ClN4O2S2 and a molecular weight of 408.94 g/mol. Its IUPAC name is (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID31988319
Molecular FormulaC17H17ClN4O2S2
Molecular Weight408.94 g/mol
Exact Mass408.05
IUPAC Name(4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)n1
InChIInChI=1S/C17H17ClN4O2S2/c1-25-17-20-8-12(18)14(21-17)16(24)22-10-26-9-13(22)15(23)19-7-11-5-3-2-4-6-11/h2-6,8,13H,7,9-10H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyFCBBISMVWJGIFN-CYBMUJFWSA-N
XLogP2.68
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.94
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-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

(4S)-N-benzyl-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 809777
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
(4S)-N-benzyl-3-(2-pyridin-3-ylacetyl)-1,3-thiazolidine-4-carboxamide
CID 97212140
(4R)-3-benzoyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 55938539
N-benzyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 43073205
5-chloro-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46586010
methyl N-[4-[[[(4R)-3-benzoyl-1,3-thiazolidine-4-carbonyl]amino]methyl]phenyl]carbamate
CID 55939179
(4S)-N-benzyl-3-(5-methyl-4-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 31993614
3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792673
3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744790
(4S)-N-benzyl-3-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 31982484

Frequently Asked Questions

What is the IUPAC name of (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 31988319) is (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)N2CSC[C@@H]2C(=O)NCc2ccccc2)n1.
What is the InChIKey of (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FCBBISMVWJGIFN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN4O2S2/c1-25-17-20-8-12(18)14(21-17)16(24)22-10-26-9-13(22)15(23)19-7-11-5-3-2-4-6-11/h2-6,8,13H,7,9-10H2,1H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 408.94 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-benzyl-3-(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 31988319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).