2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

C15H13N3OS — CID 2744370

IUPAC2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(C2CC2)o1
InChIInChI=1S/C15H13N3OS/c1-9-12(14-18-17-13(19-14)10-7-8-10)20-15(16-9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKeySPZGBIXJJIOYRH-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.05
Rot. Bonds3

About 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole

2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (PubChem CID 2744370) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
PubChem CID2744370
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(-c2ccccc2)sc1-c1nnc(C2CC2)o1
InChIInChI=1S/C15H13N3OS/c1-9-12(14-18-17-13(19-14)10-7-8-10)20-15(16-9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKeySPZGBIXJJIOYRH-UHFFFAOYSA-N
XLogP4.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dimethyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2744495
Ethyl 4-[[5-(cyclopropylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole-5-carboxylate
CID 2744187
JAR-KUA-41bd5a3d-8
CID 156906230
2-(4-Methyl-2-phenyl-1,3-thiazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 2814977
2-[1-[(3-Methylphenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92560823
2-[1-[(4-Fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598893
2-[1-[(2,3-Difluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598896
2-(1-Benzylpiperidin-4-yl)-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598897
2-[1-[(2-Fluorophenyl)methyl]piperidin-4-yl]-5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 92598899
2-[5-[4-Methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]guanidine
CID 145950712
N,N-dimethyl-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 145953635
[5-[4-Methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1,3,4-oxadiazol-2-yl]hydrazine
CID 145957878

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole (CID 2744370) is 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is Cc1nc(-c2ccccc2)sc1-c1nnc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is SPZGBIXJJIOYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-12(14-18-17-13(19-14)10-7-8-10)20-15(16-9)11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole?
2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 283.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 2744370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).