2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C14H11ClN4OS — CID 104743037

IUPAC2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(CSc2ccc(Cl)cc2)no1
InChIInChI=1S/C14H11ClN4OS/c15-9-3-5-10(6-4-9)21-8-12-18-14(20-19-12)13-11(16)2-1-7-17-13/h1-7H,8,16H2
InChIKeyMODZWHZHGBJCIV-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.66
Rot. Bonds4

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

2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 104743037) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID104743037
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(CSc2ccc(Cl)cc2)no1
InChIInChI=1S/C14H11ClN4OS/c15-9-3-5-10(6-4-9)21-8-12-18-14(20-19-12)13-11(16)2-1-7-17-13/h1-7H,8,16H2
InChIKeyMODZWHZHGBJCIV-UHFFFAOYSA-N
XLogP3.66
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 104743037) is 2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is Nc1cccnc1-c1nc(CSc2ccc(Cl)cc2)no1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is MODZWHZHGBJCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-9-3-5-10(6-4-9)21-8-12-18-14(20-19-12)13-11(16)2-1-7-17-13/h1-7H,8,16H2.
What are the key properties of 2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 318.79 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 104743037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).