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

C6H6N4S — CID 142566010

IUPAC2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ncc[nH]2)s1
InChIInChI=1S/C6H6N4S/c1-4-9-10-6(11-4)5-7-2-3-8-5/h2-3H,1H3,(H,7,8)
InChIKeyYOUCQSFCGZACGF-UHFFFAOYSA-N
MW166.21 g/mol
LogP1.24
Rot. Bonds1

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

2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 142566010) has the molecular formula C6H6N4S and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID142566010
Molecular FormulaC6H6N4S
Molecular Weight166.21 g/mol
Exact Mass166.03
IUPAC Name2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2ncc[nH]2)s1
InChIInChI=1S/C6H6N4S/c1-4-9-10-6(11-4)5-7-2-3-8-5/h2-3H,1H3,(H,7,8)
InChIKeyYOUCQSFCGZACGF-UHFFFAOYSA-N
XLogP1.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole (CID 142566010) is 2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2ncc[nH]2)s1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is YOUCQSFCGZACGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4S/c1-4-9-10-6(11-4)5-7-2-3-8-5/h2-3H,1H3,(H,7,8).
What are the key properties of 2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole?
2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 166.21 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 142566010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).