2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

C13H10BrN3OS2 — CID 2532750

IUPAC2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1csc(SCc2nnc(-c3ccccc3Br)o2)n1
InChIInChI=1S/C13H10BrN3OS2/c1-8-6-19-13(15-8)20-7-11-16-17-12(18-11)9-4-2-3-5-10(9)14/h2-6H,7H2,1H3
InChIKeySCKHFNRXFJBFOR-UHFFFAOYSA-N
MW368.28 g/mol
LogP4.56
Rot. Bonds4

About 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole

2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 2532750) has the molecular formula C13H10BrN3OS2 and a molecular weight of 368.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID2532750
Molecular FormulaC13H10BrN3OS2
Molecular Weight368.28 g/mol
Exact Mass366.94
IUPAC Name2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1csc(SCc2nnc(-c3ccccc3Br)o2)n1
InChIInChI=1S/C13H10BrN3OS2/c1-8-6-19-13(15-8)20-7-11-16-17-12(18-11)9-4-2-3-5-10(9)14/h2-6H,7H2,1H3
InChIKeySCKHFNRXFJBFOR-UHFFFAOYSA-N
XLogP4.56
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-Chlorophenyl)-5-[[(4-methyl-2-thiazolyl)thio]methyl]-1,3,4-oxadiazole
CID 2504736
2-((Benzo[d]thiazol-2-ylmethyl)thio)-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 2531424
2-(4-Isopropylthiazol-2-yl)-5-phenyl-1,3,4-oxadiazole
CID 46202517
2-Phenyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 53495044
2-(((2-Methylthiazol-4-yl)methyl)thio)-5-phenyl-1,3,4-oxadiazole
CID 1503579
2-(4-Fluorophenyl)-5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 2457094
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1448013
2-(4-Methylphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazole
CID 2744328
2-Phenyl-5-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 139238024
2-(4-Fluorophenyl)-5-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 2563948
2-(4-Fluorophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 4803486
Ethyl 2-[2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 4963463

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole (CID 2532750) is 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is Cc1csc(SCc2nnc(-c3ccccc3Br)o2)n1.
What is the InChIKey of 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is SCKHFNRXFJBFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS2/c1-8-6-19-13(15-8)20-7-11-16-17-12(18-11)9-4-2-3-5-10(9)14/h2-6H,7H2,1H3.
What are the key properties of 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole?
2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 368.28 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2532750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).