(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide

C12H16N2O2S — CID 7423405

IUPAC(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCS[C@H]2C)cc1
InChIInChI=1S/C12H16N2O2S/c1-9-14(7-8-17-9)12(15)13-10-3-5-11(16-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyOKGIPBYUVNSPIF-VIFPVBQESA-N
MW252.34 g/mol
LogP2.62
Rot. Bonds2

About (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide

(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide (PubChem CID 7423405) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
PubChem CID7423405
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)N2CCS[C@H]2C)cc1
InChIInChI=1S/C12H16N2O2S/c1-9-14(7-8-17-9)12(15)13-10-3-5-11(16-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,13,15)/t9-/m0/s1
InChIKeyOKGIPBYUVNSPIF-VIFPVBQESA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3440712
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
2-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3548492
(2R)-2-methyl-N-(3-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 35526941
(2S)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 82756445
2-(hydroxymethyl)-N-(4-methoxyphenyl)-3-methylpyrrolidine-1-carboxamide
CID 102786021
N-(4-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965018
(2R)-2-(3,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 816356
2-(2,5-dimethoxyphenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 3309757
(2S)-2-(3,5-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025660
2-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331378
2-(3,5-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4572811

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide (CID 7423405) is (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide is COc1ccc(NC(=O)N2CCS[C@H]2C)cc1.
What is the InChIKey of (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide?
The InChIKey is OKGIPBYUVNSPIF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-9-14(7-8-17-9)12(15)13-10-3-5-11(16-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,13,15)/t9-/m0/s1.
What are the key properties of (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide?
(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7423405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).