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

C18H19ClN4O2S — CID 120855011

IUPACN-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(-c3ccc(NC(=O)c4cccs4)cc3)n2)CCCC1
InChIInChI=1S/C18H18N4O2S.ClH/c19-18(9-1-2-10-18)17-21-16(24-22-17)12-5-7-13(8-6-12)20-15(23)14-4-3-11-25-14;/h3-8,11H,1-2,9-10,19H2,(H,20,23);1H
InChIKeyIDJNOZXEFRJOKF-UHFFFAOYSA-N
MW390.90 g/mol
LogP4.20
Rot. Bonds4

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

N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120855011) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120855011
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC NameN-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(-c3ccc(NC(=O)c4cccs4)cc3)n2)CCCC1
InChIInChI=1S/C18H18N4O2S.ClH/c19-18(9-1-2-10-18)17-21-16(24-22-17)12-5-7-13(8-6-12)20-15(23)14-4-3-11-25-14;/h3-8,11H,1-2,9-10,19H2,(H,20,23);1H
InChIKeyIDJNOZXEFRJOKF-UHFFFAOYSA-N
XLogP4.20
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-phenylurea
CID 120856143
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-carboxamide
CID 2203267
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 120855723
N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 119309327
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
CID 120855084
N-[4-[(1-hydroxycyclopentanecarbonyl)amino]phenyl]thiophene-2-carboxamide
CID 110911583
1-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;hydrochloride
CID 120855657
N-[4-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;hydrochloride
CID 120858775
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 120852871
N-[4-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]phenyl]thiophene-2-carboxamide
CID 25239450
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 110725523

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride (CID 120855011) is N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride is Cl.NC1(c2noc(-c3ccc(NC(=O)c4cccs4)cc3)n2)CCCC1.
What is the InChIKey of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is IDJNOZXEFRJOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S.ClH/c19-18(9-1-2-10-18)17-21-16(24-22-17)12-5-7-13(8-6-12)20-15(23)14-4-3-11-25-14;/h3-8,11H,1-2,9-10,19H2,(H,20,23);1H.
What are the key properties of N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride?
N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 390.90 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120855011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).