2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile

C11H10N4OS — CID 118194243

IUPAC2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile
SMILESN#CC(Nc1cccs1)c1nc(C2CC2)no1
InChIInChI=1S/C11H10N4OS/c12-6-8(13-9-2-1-5-17-9)11-14-10(15-16-11)7-3-4-7/h1-2,5,7-8,13H,3-4H2
InChIKeyRXENRCLFMHIXBT-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.69
Rot. Bonds4

About 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile (PubChem CID 118194243) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile
PubChem CID118194243
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile
SMILESN#CC(Nc1cccs1)c1nc(C2CC2)no1
InChIInChI=1S/C11H10N4OS/c12-6-8(13-9-2-1-5-17-9)11-14-10(15-16-11)7-3-4-7/h1-2,5,7-8,13H,3-4H2
InChIKeyRXENRCLFMHIXBT-UHFFFAOYSA-N
XLogP2.69
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-thiophen-2-ylmethanamine
CID 115285024
3-[(3R)-oxolan-3-yl]-5-[(1R)-1-thiophen-2-ylethyl]-1,2,4-oxadiazole
CID 129380265
3-cyclopropyl-5-(difluoromethyl)-1,2,4-oxadiazole
CID 130649646
3-cyclopropyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2,4-oxadiazol-5-amine
CID 95772861
3-cyclopropyl-5-[(1R)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 94477570
3-cyclopropyl-5-[(1S)-1-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 94477569
3-cyclopropyl-5-[(1R)-1-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 94500022
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-thiophen-2-ylpiperidine-1-carboxamide
CID 86265895
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683202
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
CID 64982322
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile (CID 118194243) is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile is N#CC(Nc1cccs1)c1nc(C2CC2)no1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile?
The InChIKey is RXENRCLFMHIXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-6-8(13-9-2-1-5-17-9)11-14-10(15-16-11)7-3-4-7/h1-2,5,7-8,13H,3-4H2.
What are the key properties of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile?
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile has a molecular weight of 246.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-(thiophen-2-ylamino)acetonitrile is sourced from PubChem (CID 118194243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).