2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole

C7H6N2S2 — CID 70637289

IUPAC2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cccs2)s1
InChIInChI=1S/C7H6N2S2/c1-5-8-9-7(11-5)6-3-2-4-10-6/h2-4H,1H3
InChIKeyFZKRRLOWKAGHGI-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.58
Rot. Bonds1

About 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole

2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole (PubChem CID 70637289) has the molecular formula C7H6N2S2 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole
PubChem CID70637289
Molecular FormulaC7H6N2S2
Molecular Weight182.27 g/mol
Exact Mass182.00
IUPAC Name2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cccs2)s1
InChIInChI=1S/C7H6N2S2/c1-5-8-9-7(11-5)6-3-2-4-10-6/h2-4H,1H3
InChIKeyFZKRRLOWKAGHGI-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole (CID 70637289) is 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole is Cc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole?
The InChIKey is FZKRRLOWKAGHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S2/c1-5-8-9-7(11-5)6-3-2-4-10-6/h2-4H,1H3.
What are the key properties of 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole?
2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole has a molecular weight of 182.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 70637289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).