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

C13H18ClFN2OS — CID 119341073

IUPACN-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1CCNC(=O)C1CSCN1.Cl
InChIInChI=1S/C13H17FN2OS.ClH/c1-9-6-11(14)3-2-10(9)4-5-15-13(17)12-7-18-8-16-12;/h2-3,6,12,16H,4-5,7-8H2,1H3,(H,15,17);1H
InChIKeyKSHOVMNSLMELMM-UHFFFAOYSA-N
MW304.82 g/mol
LogP1.88
Rot. Bonds4

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

N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119341073) has the molecular formula C13H18ClFN2OS and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119341073
Molecular FormulaC13H18ClFN2OS
Molecular Weight304.82 g/mol
Exact Mass304.08
IUPAC NameN-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cc(F)ccc1CCNC(=O)C1CSCN1.Cl
InChIInChI=1S/C13H17FN2OS.ClH/c1-9-6-11(14)3-2-10(9)4-5-15-13(17)12-7-18-8-16-12;/h2-3,6,12,16H,4-5,7-8H2,1H3,(H,15,17);1H
InChIKeyKSHOVMNSLMELMM-UHFFFAOYSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluoro-2-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119814166
N-[2-(4-ethoxy-2,5-dimethylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795340
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
(2S,4S)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637776
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795136
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740349
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119814173
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
2-[2-(4-fluoro-2-methylphenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978975
(3R)-N-[2-(4-fluoro-2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81134243

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119341073) is N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1cc(F)ccc1CCNC(=O)C1CSCN1.Cl.
What is the InChIKey of N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is KSHOVMNSLMELMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS.ClH/c1-9-6-11(14)3-2-10(9)4-5-15-13(17)12-7-18-8-16-12;/h2-3,6,12,16H,4-5,7-8H2,1H3,(H,15,17);1H.
What are the key properties of N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119341073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).