2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole

C14H12ClN3OS — CID 46202518

IUPAC2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCC(C)c1csc(-c2nnc(-c3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C14H12ClN3OS/c1-8(2)11-7-20-14(16-11)13-18-17-12(19-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3
InChIKeyYXUYDEOJQVPMTN-UHFFFAOYSA-N
MW305.79 g/mol
LogP4.64
Rot. Bonds3

About 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (PubChem CID 46202518) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
PubChem CID46202518
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole
SMILESCC(C)c1csc(-c2nnc(-c3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C14H12ClN3OS/c1-8(2)11-7-20-14(16-11)13-18-17-12(19-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3
InChIKeyYXUYDEOJQVPMTN-UHFFFAOYSA-N
XLogP4.64
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole
CID 2504736
2-(2-Methyl-1,3-thiazol-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2744327
2-(4-Isopropylthiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 46202517
2-(4-Isopropylthiazol-2-yl)-5-p-tolyl-1,3,4-oxadiazole
CID 46202520
2-(4-Chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfonyl)-1,3,4-oxadiazole
CID 177372170
2-(4-Chlorophenyl)-5-(1,3-thiazol-4-ylmethylsulfinyl)-1,3,4-oxadiazole
CID 177372181
2-(((2-Methylthiazol-4-yl)methyl)thio)-5-phenyl-1,3,4-oxadiazole
CID 1503579
2-[[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 139238032
2-[[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 139238033
2-[[2-(3-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 139238034
2-[[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 139238038
2-[[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 139238039

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole (CID 46202518) is 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is CC(C)c1csc(-c2nnc(-c3ccc(Cl)cc3)o2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
The InChIKey is YXUYDEOJQVPMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-8(2)11-7-20-14(16-11)13-18-17-12(19-13)9-3-5-10(15)6-4-9/h3-8H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole has a molecular weight of 305.79 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 46202518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).