N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride

C13H17ClN4O2S — CID 120855723

IUPACN-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(CNC(=O)c3cccs3)n2)CCCC1
InChIInChI=1S/C13H16N4O2S.ClH/c14-13(5-1-2-6-13)12-16-10(19-17-12)8-15-11(18)9-4-3-7-20-9;/h3-4,7H,1-2,5-6,8,14H2,(H,15,18);1H
InChIKeyWATSUPCKHCQLNK-UHFFFAOYSA-N
MW328.83 g/mol
LogP2.21
Rot. Bonds4

About N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride

N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120855723) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120855723
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC NameN-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(CNC(=O)c3cccs3)n2)CCCC1
InChIInChI=1S/C13H16N4O2S.ClH/c14-13(5-1-2-6-13)12-16-10(19-17-12)8-15-11(18)9-4-3-7-20-9;/h3-4,7H,1-2,5-6,8,14H2,(H,15,18);1H
InChIKeyWATSUPCKHCQLNK-UHFFFAOYSA-N
XLogP2.21
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 120852871
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120858775
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120859066
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
CID 120850243
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120855011
N-[2-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylethyl]acetamide;hydrochloride
CID 120862787
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
CID 120864337
N-[[3-(1-cyclopentylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 22586361
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 53172668
N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364345
2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid
CID 134354846

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride (CID 120855723) is N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride is Cl.NC1(c2noc(CNC(=O)c3cccs3)n2)CCCC1.
What is the InChIKey of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is WATSUPCKHCQLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S.ClH/c14-13(5-1-2-6-13)12-16-10(19-17-12)8-15-11(18)9-4-3-7-20-9;/h3-4,7H,1-2,5-6,8,14H2,(H,15,18);1H.
What are the key properties of N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride?
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 328.83 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120855723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).