2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole

C8H8N2S2 — CID 23543706

IUPAC2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(C)s2)s1
InChIInChI=1S/C8H8N2S2/c1-5-3-4-7(11-5)8-10-9-6(2)12-8/h3-4H,1-2H3
InChIKeyRMXIPWNMARBDES-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.88
Rot. Bonds1

About 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole

2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole (PubChem CID 23543706) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
PubChem CID23543706
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCc1ccc(-c2nnc(C)s2)s1
InChIInChI=1S/C8H8N2S2/c1-5-3-4-7(11-5)8-10-9-6(2)12-8/h3-4H,1-2H3
InChIKeyRMXIPWNMARBDES-UHFFFAOYSA-N
XLogP2.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-Di(2-thienyl)-1,3,4-thiadiazole
CID 2750959
2,5-Bis(thiophen-2-yl)-1,3,4-selenadiazole
CID 21856252
2-(Difluoromethylsulfanyl)-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 17802268
2-Difluoromethylthio-5-thienyl-1,3,4-thiadiazole
CID 20025621
2-Thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 66646630
2-Propyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 130650382
2-(1-Chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594459
2-(1-Bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594461
2-Methylsulfanyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 292715
2,5-Bis(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 12090309
5-(5-Methyl-2-thienyl)-1,3,4-thiadiazol-2-amine
CID 13142213
2-Chloro-5-thiophen-2-yl-1,3,4-thiadiazole
CID 14091186

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole (CID 23543706) is 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole is Cc1ccc(-c2nnc(C)s2)s1.
What is the InChIKey of 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole?
The InChIKey is RMXIPWNMARBDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c1-5-3-4-7(11-5)8-10-9-6(2)12-8/h3-4H,1-2H3.
What are the key properties of 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole?
2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole has a molecular weight of 196.30 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 23543706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).