(4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide

C17H25N3O2S — CID 95330657

IUPAC(4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)c(C)n1
InChIInChI=1S/C17H25N3O2S/c1-11(2)7-8-18-16(21)15-9-23-10-20(15)17(22)14-6-5-12(3)19-13(14)4/h5-6,11,15H,7-10H2,1-4H3,(H,18,21)/t15-/m1/s1
InChIKeyNCXWHUYNNRXNQK-OAHLLOKOSA-N
MW335.47 g/mol
LogP2.38
Rot. Bonds5

About (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide

(4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95330657) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95330657
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name(4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)c(C)n1
InChIInChI=1S/C17H25N3O2S/c1-11(2)7-8-18-16(21)15-9-23-10-20(15)17(22)14-6-5-12(3)19-13(14)4/h5-6,11,15H,7-10H2,1-4H3,(H,18,21)/t15-/m1/s1
InChIKeyNCXWHUYNNRXNQK-OAHLLOKOSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-(3-methylbutyl)-3-[4-(pyrrolidin-1-ylmethyl)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97315657
(4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 97315655
N-[2-(dimethylamino)ethyl]-3-(2-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42744376
3-benzoyl-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 4543944
3-(2-methylbenzoyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 75554388
3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
(4R)-N-(2-methylpropyl)-3-[4-[(S)-methylsulfinyl]benzoyl]-1,3-thiazolidine-4-carboxamide
CID 97082517
(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95337207
3-benzoyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831309
3-(4-fluorobenzoyl)-N-(3-methylbutyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42745364
N-(3-aminobutyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 119498502
3-acetyl-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 51093664

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide (CID 95330657) is (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCCC(C)C)c(C)n1.
What is the InChIKey of (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is NCXWHUYNNRXNQK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-11(2)7-8-18-16(21)15-9-23-10-20(15)17(22)14-6-5-12(3)19-13(14)4/h5-6,11,15H,7-10H2,1-4H3,(H,18,21)/t15-/m1/s1.
What are the key properties of (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide?
(4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2,6-dimethylpyridine-3-carbonyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95330657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).