N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C15H23ClN2OS — CID 119269386

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(C)NC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-10(2)12-4-6-13(7-5-12)11(3)17-15(18)14-8-19-9-16-14;/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18);1H
InChIKeyUSAUWBSUTBPXSB-UHFFFAOYSA-N
MW314.88 g/mol
LogP3.07
Rot. Bonds4

About N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119269386) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119269386
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC(C)c1ccc(C(C)NC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C15H22N2OS.ClH/c1-10(2)12-4-6-13(7-5-12)11(3)17-15(18)14-8-19-9-16-14;/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18);1H
InChIKeyUSAUWBSUTBPXSB-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280182
N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269294
N-[1-(4-tert-butylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43699491
N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 81410670
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119271876
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119287384
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43713408
N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 43709502
N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119292625
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43696659

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119269386) is N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CC(C)c1ccc(C(C)NC(=O)C2CSCN2)cc1.Cl.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is USAUWBSUTBPXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS.ClH/c1-10(2)12-4-6-13(7-5-12)11(3)17-15(18)14-8-19-9-16-14;/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 314.88 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119269386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).