2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole

C13H11ClN4OS2 — CID 133427658

IUPAC2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
SMILESCC(C)c1nsc(Sc2nnc(-c3cccc(Cl)c3)o2)n1
InChIInChI=1S/C13H11ClN4OS2/c1-7(2)10-15-13(21-18-10)20-12-17-16-11(19-12)8-4-3-5-9(14)6-8/h3-7H,1-2H3
InChIKeyNRLMBKOWJBNRIL-UHFFFAOYSA-N
MW338.85 g/mol
LogP4.52
Rot. Bonds4

About 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole

2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole (PubChem CID 133427658) has the molecular formula C13H11ClN4OS2 and a molecular weight of 338.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
PubChem CID133427658
Molecular FormulaC13H11ClN4OS2
Molecular Weight338.85 g/mol
Exact Mass338.01
IUPAC Name2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
SMILESCC(C)c1nsc(Sc2nnc(-c3cccc(Cl)c3)o2)n1
InChIInChI=1S/C13H11ClN4OS2/c1-7(2)10-15-13(21-18-10)20-12-17-16-11(19-12)8-4-3-5-9(14)6-8/h3-7H,1-2H3
InChIKeyNRLMBKOWJBNRIL-UHFFFAOYSA-N
XLogP4.52
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanenitrile
CID 51184819
2-[(4-chlorophenoxy)methyl]-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133427701
5-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133443938
2-(3-chlorophenyl)-5-(4-methoxypyrimidin-2-yl)sulfanyl-1,3,4-oxadiazole
CID 78844273
2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133425825
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanamine
CID 39357852
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7661147
2-(3-chlorophenyl)-5-(ethoxymethylsulfanyl)-1,3,4-oxadiazole
CID 100686773
2-(3-chlorophenyl)-5-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanyl-1,3,4-oxadiazole
CID 8644330
(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylpropyl)propanamide
CID 9382607
2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole
CID 133427660
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7534203

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole (CID 133427658) is 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole is CC(C)c1nsc(Sc2nnc(-c3cccc(Cl)c3)o2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The InChIKey is NRLMBKOWJBNRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4OS2/c1-7(2)10-15-13(21-18-10)20-12-17-16-11(19-12)8-4-3-5-9(14)6-8/h3-7H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole has a molecular weight of 338.85 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 133427658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).