3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine

C12H12ClN3OS — CID 66154490

IUPAC3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine
SMILESClc1ccccc1SCc1noc(NC2CC2)n1
InChIInChI=1S/C12H12ClN3OS/c13-9-3-1-2-4-10(9)18-7-11-15-12(17-16-11)14-8-5-6-8/h1-4,8H,5-7H2,(H,14,15,16)
InChIKeySTNZGKUBBZMLNC-UHFFFAOYSA-N
MW281.77 g/mol
LogP3.59
Rot. Bonds5

About 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine

3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine (PubChem CID 66154490) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine
PubChem CID66154490
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine
SMILESClc1ccccc1SCc1noc(NC2CC2)n1
InChIInChI=1S/C12H12ClN3OS/c13-9-3-1-2-4-10(9)18-7-11-15-12(17-16-11)14-8-5-6-8/h1-4,8H,5-7H2,(H,14,15,16)
InChIKeySTNZGKUBBZMLNC-UHFFFAOYSA-N
XLogP3.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66070877
2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanol
CID 66153346
N-cyclopropyl-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 62594126
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66153347
(E)-3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]prop-2-en-1-amine
CID 112746613
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 66154272
3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 66155280
2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66433459
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43248934
3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 66152775
2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79464180
2-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2-ethylbutan-1-amine
CID 115430621

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine (CID 66154490) is 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine is Clc1ccccc1SCc1noc(NC2CC2)n1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine?
The InChIKey is STNZGKUBBZMLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c13-9-3-1-2-4-10(9)18-7-11-15-12(17-16-11)14-8-5-6-8/h1-4,8H,5-7H2,(H,14,15,16).
What are the key properties of 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine?
3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine has a molecular weight of 281.77 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfanylmethyl]-N-cyclopropyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 66154490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).