N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide

C15H19N3O2S2 — CID 60541860

IUPACN-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
SMILESCC(SCc1nc(-c2cccs2)no1)C(=O)NC1CCCC1
InChIInChI=1S/C15H19N3O2S2/c1-10(15(19)16-11-5-2-3-6-11)22-9-13-17-14(18-20-13)12-7-4-8-21-12/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,19)
InChIKeyWKVJNTYDNUHKAD-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.48
Rot. Bonds6

About N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide

N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide (PubChem CID 60541860) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
PubChem CID60541860
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
SMILESCC(SCc1nc(-c2cccs2)no1)C(=O)NC1CCCC1
InChIInChI=1S/C15H19N3O2S2/c1-10(15(19)16-11-5-2-3-6-11)22-9-13-17-14(18-20-13)12-7-4-8-21-12/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,19)
InChIKeyWKVJNTYDNUHKAD-UHFFFAOYSA-N
XLogP3.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 43238093
(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579076
N-[(2-chlorophenyl)methyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide
CID 42948809
N-cyclopentyl-2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanamide
CID 60542044
N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934906
N-cyclohexyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934907
N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexanecarboxamide
CID 110293437
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-cyclopropylpropanamide
CID 47321486
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022
N-[2-(cycloheptylamino)ethyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119619263
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928606
N-piperidin-3-yl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119429004

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide?
The IUPAC name of N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide (CID 60541860) is N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide is CC(SCc1nc(-c2cccs2)no1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide?
The InChIKey is WKVJNTYDNUHKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-10(15(19)16-11-5-2-3-6-11)22-9-13-17-14(18-20-13)12-7-4-8-21-12/h4,7-8,10-11H,2-3,5-6,9H2,1H3,(H,16,19).
What are the key properties of N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide?
N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide has a molecular weight of 337.47 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 60541860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).