2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole

C7H5ClN2OS — CID 59285469

IUPAC2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C7H5ClN2OS/c1-4-9-10-7(11-4)5-2-3-6(8)12-5/h2-3H,1H3
InChIKeyWUKSMRWRWJZGBI-UHFFFAOYSA-N
MW200.65 g/mol
LogP2.76
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole

2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 59285469) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID59285469
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C7H5ClN2OS/c1-4-9-10-7(11-4)5-2-3-6(8)12-5/h2-3H,1H3
InChIKeyWUKSMRWRWJZGBI-UHFFFAOYSA-N
XLogP2.76
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.65
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethylsulfanyl-5-thiophen-2-yl-[1,3,4]oxadiazole
CID 646055
1,3,4-Oxadiazole, 2-methylthio-5-(2-thienyl)-
CID 574221
2,5-Dithiophen-2-yl-1,3,4-oxadiazole
CID 863678
2-(Chloromethyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole
CID 2402634
5-(5-Chlorothiophen-2-yl)-1,3,4-oxadiazol-2-amine
CID 33679834
2-(5-Bromothiophen-2-yl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 4962816
2-(2-Thienyl)-5-[2-(2-thienyl)vinyl]-1,3,4-oxadiazole
CID 6263817
2-(3-Chlorothiophen-2-yl)-5-(difluoromethylsulfanyl)-1,3,4-oxadiazole
CID 20025620
2-(Difluoromethyl)-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 170733893
2-(Difluoromethyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole
CID 170733935
2-Ethyl-5-(thiophen-2-YL)-1,3,4-oxadiazole
CID 49958656
2-Propan-2-yl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017471

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole (CID 59285469) is 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(Cl)s2)o1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is WUKSMRWRWJZGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c1-4-9-10-7(11-4)5-2-3-6(8)12-5/h2-3H,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole?
2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 200.65 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 59285469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).