2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile

C14H9ClN4OS2 — CID 139222143

IUPAC2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(Cc2csc(-c3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C14H9ClN4OS2/c15-10-3-1-9(2-4-10)13-17-11(8-22-13)7-12-18-19-14(20-12)21-6-5-16/h1-4,8H,6-7H2
InChIKeyDPCPZMCMCXRACW-UHFFFAOYSA-N
MW348.84 g/mol
LogP4.05
Rot. Bonds5

About 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile

2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (PubChem CID 139222143) has the molecular formula C14H9ClN4OS2 and a molecular weight of 348.84 g/mol. Its IUPAC name is 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
PubChem CID139222143
Molecular FormulaC14H9ClN4OS2
Molecular Weight348.84 g/mol
Exact Mass347.99
IUPAC Name2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(Cc2csc(-c3ccc(Cl)cc3)n2)o1
InChIInChI=1S/C14H9ClN4OS2/c15-10-3-1-9(2-4-10)13-17-11(8-22-13)7-12-18-19-14(20-12)21-6-5-16/h1-4,8H,6-7H2
InChIKeyDPCPZMCMCXRACW-UHFFFAOYSA-N
XLogP4.05
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.84
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazole
CID 139238037
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)-4-(2H-tetrazol-5-ylmethyl)-1,3-thiazole
CID 3043282
2-(4-chlorophenyl)-5-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 30051927
2-(4-chlorophenyl)-5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7940489
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7661147
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 7810645
2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-5-(1,2,4-triazol-1-ylmethyl)-1,3,4-oxadiazole
CID 60593364
2-[[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46435510
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 7810373
2-[[5-[2-(4-chlorophenyl)quinolin-4-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
CID 7189833

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (CID 139222143) is 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is N#CCSc1nnc(Cc2csc(-c3ccc(Cl)cc3)n2)o1.
What is the InChIKey of 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The InChIKey is DPCPZMCMCXRACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4OS2/c15-10-3-1-9(2-4-10)13-17-11(8-22-13)7-12-18-19-14(20-12)21-6-5-16/h1-4,8H,6-7H2.
What are the key properties of 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 348.84 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 139222143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).