2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide

C23H30N2OS — CID 5220921

IUPAC2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCSC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2OS/c1-16(2)17-8-12-20(13-9-17)24-22(26)25-14-15-27-21(25)18-6-10-19(11-7-18)23(3,4)5/h6-13,16,21H,14-15H2,1-5H3,(H,24,26)
InChIKeyVRRNMECOCLARSD-UHFFFAOYSA-N
MW382.57 g/mol
LogP6.39
Rot. Bonds3

About 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide

2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 5220921) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID5220921
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCSC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N2OS/c1-16(2)17-8-12-20(13-9-17)24-22(26)25-14-15-27-21(25)18-6-10-19(11-7-18)23(3,4)5/h6-13,16,21H,14-15H2,1-5H3,(H,24,26)
InChIKeyVRRNMECOCLARSD-UHFFFAOYSA-N
XLogP6.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
(2S)-2-(4-tert-butylphenyl)-N-(3-chloro-4-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025225
N-(4-tert-butylphenyl)-2-naphthalen-2-yl-1,3-thiazolidine-3-carboxamide
CID 110186022
N-[2,6-di(propan-2-yl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5077872
(2R)-2-(4-tert-butylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7328540
(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025816
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
(2R)-2-(2,3-dichlorophenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7416385
1-[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 4076126
(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025231
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (CID 5220921) is 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is CC(C)c1ccc(NC(=O)N2CCSC2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is VRRNMECOCLARSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-16(2)17-8-12-20(13-9-17)24-22(26)25-14-15-27-21(25)18-6-10-19(11-7-18)23(3,4)5/h6-13,16,21H,14-15H2,1-5H3,(H,24,26).
What are the key properties of 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 382.57 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 5220921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).