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

C21H26N2O2S — CID 4145535

IUPACN-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCSC1c1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O2S/c1-4-25-19-8-6-5-7-18(19)22-21(24)23-13-14-26-20(23)17-11-9-16(10-12-17)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyAPWAFXPWULVJRZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP5.49
Rot. Bonds5

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

N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 4145535) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID4145535
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCSC1c1ccc(C(C)C)cc1
InChIInChI=1S/C21H26N2O2S/c1-4-25-19-8-6-5-7-18(19)22-21(24)23-13-14-26-20(23)17-11-9-16(10-12-17)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyAPWAFXPWULVJRZ-UHFFFAOYSA-N
XLogP5.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025816
2-(1,3-benzodioxol-5-yl)-N-(2-ethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 3256733
(2R)-N-(2-ethoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025381
N-(2-ethoxyphenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 4101158
2-(4-tert-butylphenyl)-N-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 5220921
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468
(2S)-2-(4-tert-butylphenyl)-N-(2-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025251
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747134
(2R)-2-(3-bromo-4-fluorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 99986077
(2S)-2-(4-tert-butylphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025222
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
(2S)-2-chloro-2-phenyl-1-[(2S)-2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]ethanone
CID 1024855

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide (CID 4145535) is N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is CCOc1ccccc1NC(=O)N1CCSC1c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is APWAFXPWULVJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-4-25-19-8-6-5-7-18(19)22-21(24)23-13-14-26-20(23)17-11-9-16(10-12-17)15(2)3/h5-12,15,20H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide?
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 4145535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).