(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide

C18H19N3O2S — CID 95303764

IUPAC(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(C)n2)c1
InChIInChI=1S/C18H19N3O2S/c1-12-5-3-7-14(9-12)20-17(22)16-10-24-11-21(16)18(23)15-8-4-6-13(2)19-15/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyIXTOKEJYUOHKDM-MRXNPFEDSA-N
MW341.44 g/mol
LogP2.85
Rot. Bonds3

About (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide

(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95303764) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95303764
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(C)n2)c1
InChIInChI=1S/C18H19N3O2S/c1-12-5-3-7-14(9-12)20-17(22)16-10-24-11-21(16)18(23)15-8-4-6-13(2)19-15/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyIXTOKEJYUOHKDM-MRXNPFEDSA-N
XLogP2.85
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

3-[2-(furan-2-yl)acetyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 75384637
3-[3-(3-fluorophenyl)prop-2-enoyl]-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 72693701
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193
(4R)-3-(dimethylsulfamoyl)-N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 95287154
(4R)-N-(4-fluorophenyl)-3-(5-methylpyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95296252
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
(4S)-3-benzoyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 94096788
(4S)-N-(3,4-dimethylphenyl)-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 95158596
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
(4R)-3-benzoyl-N-(3-nitrophenyl)-1,3-thiazolidine-4-carboxamide
CID 71889011
(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide (CID 95303764) is (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide is Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(C)n2)c1.
What is the InChIKey of (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is IXTOKEJYUOHKDM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-5-3-7-14(9-12)20-17(22)16-10-24-11-21(16)18(23)15-8-4-6-13(2)19-15/h3-9,16H,10-11H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide?
(4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-methylphenyl)-3-(6-methylpyridine-2-carbonyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95303764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).