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

C14H17ClN2O2S — CID 119332483

IUPACN-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1cc2ccccc2o1)C1CSCN1
InChIInChI=1S/C14H16N2O2S.ClH/c17-14(12-8-19-9-16-12)15-6-5-11-7-10-3-1-2-4-13(10)18-11;/h1-4,7,12,16H,5-6,8-9H2,(H,15,17);1H
InChIKeyJPZLZNSYRGKNDA-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.18
Rot. Bonds4

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

N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119332483) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119332483
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC NameN-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCc1cc2ccccc2o1)C1CSCN1
InChIInChI=1S/C14H16N2O2S.ClH/c17-14(12-8-19-9-16-12)15-6-5-11-7-10-3-1-2-4-13(10)18-11;/h1-4,7,12,16H,5-6,8-9H2,(H,15,17);1H
InChIKeyJPZLZNSYRGKNDA-UHFFFAOYSA-N
XLogP2.18
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzofuran-2-yl)ethyl]piperidine-2-carboxamide
CID 119332486
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[2-(1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
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N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796288
(2R,3S)-N-[2-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120934546
N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide
CID 110667219
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 136811645
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119326179
N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119341073
N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119316856

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119332483) is N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cl.O=C(NCCc1cc2ccccc2o1)C1CSCN1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is JPZLZNSYRGKNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S.ClH/c17-14(12-8-19-9-16-12)15-6-5-11-7-10-3-1-2-4-13(10)18-11;/h1-4,7,12,16H,5-6,8-9H2,(H,15,17);1H.
What are the key properties of N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 312.82 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119332483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).