(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide

C21H26N2OS — CID 1025222

IUPAC(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2OS/c1-15-7-5-6-8-18(15)22-20(24)23-13-14-25-19(23)16-9-11-17(12-10-16)21(2,3)4/h5-12,19H,13-14H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyJBALRTCMOWCQPD-IBGZPJMESA-N
MW354.52 g/mol
LogP5.57
Rot. Bonds2

About (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide

(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025222) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025222
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H26N2OS/c1-15-7-5-6-8-18(15)22-20(24)23-13-14-25-19(23)16-9-11-17(12-10-16)21(2,3)4/h5-12,19H,13-14H2,1-4H3,(H,22,24)/t19-/m0/s1
InChIKeyJBALRTCMOWCQPD-IBGZPJMESA-N
XLogP5.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025231
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 86264827
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7418716
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide
CID 110186022
2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331362
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4076126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025222) is (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide is Cc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is JBALRTCMOWCQPD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H26N2OS/c1-15-7-5-6-8-18(15)22-20(24)23-13-14-25-19(23)16-9-11-17(12-10-16)21(2,3)4/h5-12,19H,13-14H2,1-4H3,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 354.52 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).