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

C14H11ClN4OS — CID 66140184

IUPAC5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(CSc3ccccc3Cl)no2)cn1
InChIInChI=1S/C14H11ClN4OS/c15-10-3-1-2-4-11(10)21-8-13-18-14(20-19-13)9-5-6-12(16)17-7-9/h1-7H,8H2,(H2,16,17)
InChIKeyGNWPBLIEHHBSPG-UHFFFAOYSA-N
MW318.79 g/mol
LogP3.66
Rot. Bonds4

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

5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 66140184) has the molecular formula C14H11ClN4OS and a molecular weight of 318.79 g/mol. Its IUPAC name is 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID66140184
Molecular FormulaC14H11ClN4OS
Molecular Weight318.79 g/mol
Exact Mass318.03
IUPAC Name5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(CSc3ccccc3Cl)no2)cn1
InChIInChI=1S/C14H11ClN4OS/c15-10-3-1-2-4-11(10)21-8-13-18-14(20-19-13)9-5-6-12(16)17-7-9/h1-7H,8H2,(H2,16,17)
InChIKeyGNWPBLIEHHBSPG-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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Related Compounds

5-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66094430
5-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259856
3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 66142384
2-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
CID 43248934
5-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65133456
(E)-3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]prop-2-en-1-amine
CID 112746613
2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine
CID 66153318
1-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 66153347
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 79954394
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63260076
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570
2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 79464180

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 66140184) is 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nc(CSc3ccccc3Cl)no2)cn1.
What is the InChIKey of 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is GNWPBLIEHHBSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4OS/c15-10-3-1-2-4-11(10)21-8-13-18-14(20-19-13)9-5-6-12(16)17-7-9/h1-7H,8H2,(H2,16,17).
What are the key properties of 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-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 5-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 66140184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).