N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride

C13H17ClF2N2OS — CID 119314240

IUPACN-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCN(Cc1c(F)cccc1F)C(=O)C1CSCN1.Cl
InChIInChI=1S/C13H16F2N2OS.ClH/c1-2-17(13(18)12-7-19-8-16-12)6-9-10(14)4-3-5-11(9)15;/h3-5,12,16H,2,6-8H2,1H3;1H
InChIKeyIMPYPGJXIZUWOZ-UHFFFAOYSA-N
MW322.81 g/mol
LogP2.40
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119314240) has the molecular formula C13H17ClF2N2OS and a molecular weight of 322.81 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119314240
Molecular FormulaC13H17ClF2N2OS
Molecular Weight322.81 g/mol
Exact Mass322.07
IUPAC NameN-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCCN(Cc1c(F)cccc1F)C(=O)C1CSCN1.Cl
InChIInChI=1S/C13H16F2N2OS.ClH/c1-2-17(13(18)12-7-19-8-16-12)6-9-10(14)4-3-5-11(9)15;/h3-5,12,16H,2,6-8H2,1H3;1H
InChIKeyIMPYPGJXIZUWOZ-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 119314243
N-ethyl-N-hydroxy-1,3-thiazolidine-4-carboxamide
CID 131080910
N-[(2,6-difluorophenyl)methyl]-N-ethyl-2-pyrrolidin-2-ylacetamide
CID 119767629
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-ethyl-N-(pyridin-2-ylmethyl)thiomorpholine-3-carboxamide
CID 82918088
methyl 4-[(2,6-difluorophenyl)methyl-ethylcarbamoyl]piperidine-1-carboxylate
CID 146136314
N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 43579156
N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119767620
N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266862
(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 93367241
4-amino-N-[(2,6-difluorophenyl)methyl]-N-ethylpentanamide;hydrochloride
CID 120562001
(2S)-2-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 119767637

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119314240) is N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride is CCN(Cc1c(F)cccc1F)C(=O)C1CSCN1.Cl.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is IMPYPGJXIZUWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2OS.ClH/c1-2-17(13(18)12-7-19-8-16-12)6-9-10(14)4-3-5-11(9)15;/h3-5,12,16H,2,6-8H2,1H3;1H.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 322.81 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-N-ethyl-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119314240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).