3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine

C13H10ClN5OS — CID 106678927

IUPAC3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H10ClN5OS/c14-9-4-2-1-3-8(9)12-18-10(20-19-12)7-21-13-11(15)16-5-6-17-13/h1-6H,7H2,(H2,15,16)
InChIKeyZYHWTURJGMHAOK-UHFFFAOYSA-N
MW319.78 g/mol
LogP3.05
Rot. Bonds4

About 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine

3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine (PubChem CID 106678927) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine
PubChem CID106678927
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC Name3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine
SMILESNc1nccnc1SCc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C13H10ClN5OS/c14-9-4-2-1-3-8(9)12-18-10(20-19-12)7-21-13-11(15)16-5-6-17-13/h1-6H,7H2,(H2,15,16)
InChIKeyZYHWTURJGMHAOK-UHFFFAOYSA-N
XLogP3.05
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678763
3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrazin-2-amine
CID 106678785
5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9418012
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058177
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81073046
3-(2-chlorophenyl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 9033418
(2R)-2-amino-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]propanoic acid
CID 61141918
3-(2-chlorophenyl)-5-[[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 50786090
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 63352508
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine?
The IUPAC name of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine (CID 106678927) is 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine.
What is the SMILES notation for 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine?
The canonical SMILES for 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine is Nc1nccnc1SCc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine?
The InChIKey is ZYHWTURJGMHAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c14-9-4-2-1-3-8(9)12-18-10(20-19-12)7-21-13-11(15)16-5-6-17-13/h1-6H,7H2,(H2,15,16).
What are the key properties of 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine?
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine has a molecular weight of 319.78 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrazin-2-amine is sourced from PubChem (CID 106678927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).