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

C22H28N2OS — CID 1025251

IUPAC(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2OS/c1-5-16-8-6-7-9-19(16)23-21(25)24-14-15-26-20(24)17-10-12-18(13-11-17)22(2,3)4/h6-13,20H,5,14-15H2,1-4H3,(H,23,25)/t20-/m0/s1
InChIKeyANBMEDGUMNRMSC-FQEVSTJZSA-N
MW368.55 g/mol
LogP5.83
Rot. Bonds3

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

(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 1025251) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID1025251
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC Name(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N2OS/c1-5-16-8-6-7-9-19(16)23-21(25)24-14-15-26-20(24)17-10-12-18(13-11-17)22(2,3)4/h6-13,20H,5,14-15H2,1-4H3,(H,23,25)/t20-/m0/s1
InChIKeyANBMEDGUMNRMSC-FQEVSTJZSA-N
XLogP5.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 55.83
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
(2R)-2-(4-tert-butylphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025231
(2S)-N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028925
(1S)-1-(4-tert-butylphenyl)-N-(2-ethylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92956454
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5068195
2-(2,3-dichlorophenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5211788
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
(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
(2S)-2-(2,3-dimethoxyphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7236871
[2-(4-tert-butylphenyl)-1,3-thiazolidin-3-yl]-phenylmethanone
CID 4058369

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide (CID 1025251) is (2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide is CCc1ccccc1NC(=O)N1CCS[C@H]1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is ANBMEDGUMNRMSC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-5-16-8-6-7-9-19(16)23-21(25)24-14-15-26-20(24)17-10-12-18(13-11-17)22(2,3)4/h6-13,20H,5,14-15H2,1-4H3,(H,23,25)/t20-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide?
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 368.55 g/mol, XLogP of 5.83, 3 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-ethylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 1025251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).