(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide

C16H22N2O2S — CID 95340180

IUPAC(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C)c(C)c1
InChIInChI=1S/C16H22N2O2S/c1-10(2)16(20)18-9-21-8-14(18)15(19)17-13-6-5-11(3)7-12(13)4/h5-7,10,14H,8-9H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyGYLHRBTYGBVCTG-AWEZNQCLSA-N
MW306.43 g/mol
LogP2.80
Rot. Bonds3

About (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95340180) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95340180
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C)c(C)c1
InChIInChI=1S/C16H22N2O2S/c1-10(2)16(20)18-9-21-8-14(18)15(19)17-13-6-5-11(3)7-12(13)4/h5-7,10,14H,8-9H2,1-4H3,(H,17,19)/t14-/m0/s1
InChIKeyGYLHRBTYGBVCTG-AWEZNQCLSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-benzoyl-N-(2,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 97310871
(4S)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95298062
(4R)-N-(2,4-dimethylphenyl)-3-(pyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95326752
N-(4-methoxyphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 56785175
(4S)-3-(2-methylpropanoyl)-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 809737
(4R)-3-benzoyl-N-[4-(dimethylamino)-2-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 55940652
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
2-methylpropyl (2R,4R)-2-[(2,4-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 40592800
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95653604
S-propan-2-yl N-(2,4-dimethylphenyl)carbamothioate
CID 4606639
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 42744627

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide (CID 95340180) is (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C)c(C)c1.
What is the InChIKey of (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GYLHRBTYGBVCTG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10(2)16(20)18-9-21-8-14(18)15(19)17-13-6-5-11(3)7-12(13)4/h5-7,10,14H,8-9H2,1-4H3,(H,17,19)/t14-/m0/s1.
What are the key properties of (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2,4-dimethylphenyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95340180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).