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

C13H9ClN4OS2 — CID 133425825

IUPAC2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Sc3nc(C4CC4)ns3)o2)cc1
InChIInChI=1S/C13H9ClN4OS2/c14-9-5-3-8(4-6-9)11-16-17-12(19-11)20-13-15-10(18-21-13)7-1-2-7/h3-7H,1-2H2
InChIKeyLLKICBYZVLDGLX-UHFFFAOYSA-N
MW336.83 g/mol
LogP4.27
Rot. Bonds4

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

2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole (PubChem CID 133425825) has the molecular formula C13H9ClN4OS2 and a molecular weight of 336.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
PubChem CID133425825
Molecular FormulaC13H9ClN4OS2
Molecular Weight336.83 g/mol
Exact Mass335.99
IUPAC Name2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(Sc3nc(C4CC4)ns3)o2)cc1
InChIInChI=1S/C13H9ClN4OS2/c14-9-5-3-8(4-6-9)11-16-17-12(19-11)20-13-15-10(18-21-13)7-1-2-7/h3-7H,1-2H2
InChIKeyLLKICBYZVLDGLX-UHFFFAOYSA-N
XLogP4.27
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-bromophenyl)-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133425685
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
CID 133427747
2-(3-chlorophenyl)-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133427658
3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133425834
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3-benzoxazol-5-amine
CID 65274783
2-(chloromethylsulfanyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 54132706
4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]cyclohexan-1-ol
CID 166291837
(4S)-4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]oxolan-2-one
CID 51983842
(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 7907124
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 9263800
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7816798
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole (CID 133425825) is 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole is Clc1ccc(-c2nnc(Sc3nc(C4CC4)ns3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
The InChIKey is LLKICBYZVLDGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4OS2/c14-9-5-3-8(4-6-9)11-16-17-12(19-11)20-13-15-10(18-21-13)7-1-2-7/h3-7H,1-2H2.
What are the key properties of 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole has a molecular weight of 336.83 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 133425825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).