3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile

C12H4Cl2N4OS2 — CID 133425834

IUPAC3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1Sc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H4Cl2N4OS2/c13-7-3-1-6(2-4-7)10-16-17-12(19-10)20-11-8(5-15)9(14)18-21-11/h1-4H
InChIKeyQCMWUIBXHOGUKT-UHFFFAOYSA-N
MW355.23 g/mol
LogP4.52
Rot. Bonds3

About 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile

3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile (PubChem CID 133425834) has the molecular formula C12H4Cl2N4OS2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
PubChem CID133425834
Molecular FormulaC12H4Cl2N4OS2
Molecular Weight355.23 g/mol
Exact Mass353.92
IUPAC Name3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Cl)nsc1Sc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H4Cl2N4OS2/c13-7-3-1-6(2-4-7)10-16-17-12(19-10)20-11-8(5-15)9(14)18-21-11/h1-4H
InChIKeyQCMWUIBXHOGUKT-UHFFFAOYSA-N
XLogP4.52
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-oxadiazole
CID 133425825
2-(chloromethylsulfanyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 54132706
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-amine
CID 39369238
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
3-chloro-5-(2-methylpropylsulfanyl)-1,2-thiazole-4-carbonitrile
CID 130685863
2-(4-chlorophenyl)-5-(6-chloroquinazolin-4-yl)sulfanyl-1,3,4-oxadiazole
CID 134129207
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide
CID 46683992
2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile
CID 51202684
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7023539
3-chloro-5-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133427196
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
4-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-hydroxypropoxy]benzonitrile
CID 55410363

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile (CID 133425834) is 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile is N#Cc1c(Cl)nsc1Sc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile?
The InChIKey is QCMWUIBXHOGUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Cl2N4OS2/c13-7-3-1-6(2-4-7)10-16-17-12(19-10)20-11-8(5-15)9(14)18-21-11/h1-4H.
What are the key properties of 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile?
3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile has a molecular weight of 355.23 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 133425834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).