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

C22H28N2OS — CID 1025231

IUPAC(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCS[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C22H28N2OS/c1-15-6-11-19(16(2)14-15)23-21(25)24-12-13-26-20(24)17-7-9-18(10-8-17)22(3,4)5/h6-11,14,20H,12-13H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeyBUWCHCJGUAHCAT-HXUWFJFHSA-N
MW368.55 g/mol
LogP5.88
Rot. Bonds2

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

(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025231) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025231
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC Name(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCc1ccc(NC(=O)N2CCS[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C22H28N2OS/c1-15-6-11-19(16(2)14-15)23-21(25)24-12-13-26-20(24)17-7-9-18(10-8-17)22(3,4)5/h6-11,14,20H,12-13H2,1-5H3,(H,23,25)/t20-/m1/s1
InChIKeyBUWCHCJGUAHCAT-HXUWFJFHSA-N
XLogP5.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
2-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122328954
2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
(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
(2R)-2-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7347826
N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide
CID 110186022
(2R)-N-(2,4-dichlorophenyl)-2-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025765
N-(2-methylphenyl)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-3-carboxamide
CID 86264827

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025231) is (2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide is Cc1ccc(NC(=O)N2CCS[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of (2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is BUWCHCJGUAHCAT-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-15-6-11-19(16(2)14-15)23-21(25)24-12-13-26-20(24)17-7-9-18(10-8-17)22(3,4)5/h6-11,14,20H,12-13H2,1-5H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide?
(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 368.55 g/mol, XLogP of 5.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).