N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C14H21ClN2OS — CID 119269294

IUPACN-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-3-11-4-6-12(7-5-11)10(2)16-14(17)13-8-18-9-15-13;/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17);1H
InChIKeyWRYAMHQOASQXBJ-UHFFFAOYSA-N
MW300.86 g/mol
LogP2.51
Rot. Bonds4

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

N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119269294) has the molecular formula C14H21ClN2OS and a molecular weight of 300.86 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119269294
Molecular FormulaC14H21ClN2OS
Molecular Weight300.86 g/mol
Exact Mass300.11
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C14H20N2OS.ClH/c1-3-11-4-6-12(7-5-11)10(2)16-14(17)13-8-18-9-15-13;/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17);1H
InChIKeyWRYAMHQOASQXBJ-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.86
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269386
N-[1-(4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119280182
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-ethylphenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43702940
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119271876
(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-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119287384
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119289106
N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 119302976
N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 43709502

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119269294) is N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is CCc1ccc(C(C)NC(=O)C2CSCN2)cc1.Cl.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is WRYAMHQOASQXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS.ClH/c1-3-11-4-6-12(7-5-11)10(2)16-14(17)13-8-18-9-15-13;/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 300.86 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119269294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).