2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole

C7H5ClN2OS — CID 130778751

IUPAC2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1csc(-c2nnc(Cl)o2)c1
InChIInChI=1S/C7H5ClN2OS/c1-4-2-5(12-3-4)6-9-10-7(8)11-6/h2-3H,1H3
InChIKeyMJNSTSSMGFJVPP-UHFFFAOYSA-N
MW200.65 g/mol
LogP2.76
Rot. Bonds1

About 2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole

2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 130778751) has the molecular formula C7H5ClN2OS and a molecular weight of 200.65 g/mol. Its IUPAC name is 2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID130778751
Molecular FormulaC7H5ClN2OS
Molecular Weight200.65 g/mol
Exact Mass199.98
IUPAC Name2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCc1csc(-c2nnc(Cl)o2)c1
InChIInChI=1S/C7H5ClN2OS/c1-4-2-5(12-3-4)6-9-10-7(8)11-6/h2-3H,1H3
InChIKeyMJNSTSSMGFJVPP-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-(chloromethyl)-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 131047818
2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 114770890
2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole
CID 114770814
2-(4-methylthiophen-2-yl)-5-[5-[5-[5-(4-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 11752772
2,5-bis(4-methylthiophen-2-yl)thiophene
CID 11097816
2-(2-bromo-5-methylphenyl)-5-chloro-1,3,4-oxadiazole
CID 114770970
2-chloro-5-(2-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 114770871
3-(4-methoxyphenyl)-N-[5-(4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 71781001
2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole
CID 114770866
2-(3-chlorophenyl)-4-methylthiophene
CID 173145539
2-chloro-5-(5-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 114770729
2,5-bis(2-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 59937379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 130778751) is 2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole is Cc1csc(-c2nnc(Cl)o2)c1.
What is the InChIKey of 2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is MJNSTSSMGFJVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2OS/c1-4-2-5(12-3-4)6-9-10-7(8)11-6/h2-3H,1H3.
What are the key properties of 2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-chloro-5-(4-methylthiophen-2-yl)-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-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 130778751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).