(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide

C12H16N2OS — CID 35526941

IUPAC(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(NC(=O)N2CCS[C@@H]2C)c1
InChIInChI=1S/C12H16N2OS/c1-9-4-3-5-11(8-9)13-12(15)14-6-7-16-10(14)2/h3-5,8,10H,6-7H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyZOOCQGJFWPGEHX-SNVBAGLBSA-N
MW236.34 g/mol
LogP2.92
Rot. Bonds1

About (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide

(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 35526941) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID35526941
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1cccc(NC(=O)N2CCS[C@@H]2C)c1
InChIInChI=1S/C12H16N2OS/c1-9-4-3-5-11(8-9)13-12(15)14-6-7-16-10(14)2/h3-5,8,10H,6-7H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyZOOCQGJFWPGEHX-SNVBAGLBSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(furan-2-yl)-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7289070
(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
CID 35526946
(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
CID 7423405
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
(2S,3S)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503646
(2S,3R)-N-(3-fluorophenyl)-2,3-dimethylthiomorpholine-4-carboxamide
CID 96503644
N-(3-fluorophenyl)-2-(4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330402
N-(3-methylphenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 22586897
(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331516
(2S)-2-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1025746
N-(3-fluorophenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazolidine-3-carboxamide
CID 3329326
(4-methylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331515

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide (CID 35526941) is (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide is Cc1cccc(NC(=O)N2CCS[C@@H]2C)c1.
What is the InChIKey of (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is ZOOCQGJFWPGEHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9-4-3-5-11(8-9)13-12(15)14-6-7-16-10(14)2/h3-5,8,10H,6-7H2,1-2H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide?
(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 35526941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).