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

C5H4N4S2 — CID 18938487

IUPAC2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole
SMILESCc1nnc(-c2nncs2)s1
InChIInChI=1S/C5H4N4S2/c1-3-7-9-5(11-3)4-8-6-2-10-4/h2H,1H3
InChIKeyKOUCKWJFLDNMCC-UHFFFAOYSA-N
MW184.25 g/mol
LogP1.37
Rot. Bonds1

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

2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole (PubChem CID 18938487) has the molecular formula C5H4N4S2 and a molecular weight of 184.25 g/mol. Its IUPAC name is 2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole
PubChem CID18938487
Molecular FormulaC5H4N4S2
Molecular Weight184.25 g/mol
Exact Mass183.99
IUPAC Name2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole
SMILESCc1nnc(-c2nncs2)s1
InChIInChI=1S/C5H4N4S2/c1-3-7-9-5(11-3)4-8-6-2-10-4/h2H,1H3
InChIKeyKOUCKWJFLDNMCC-UHFFFAOYSA-N
XLogP1.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole (CID 18938487) is 2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole is Cc1nnc(-c2nncs2)s1.
What is the InChIKey of 2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole?
The InChIKey is KOUCKWJFLDNMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4S2/c1-3-7-9-5(11-3)4-8-6-2-10-4/h2H,1H3.
What are the key properties of 2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole?
2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole has a molecular weight of 184.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,3,4-thiadiazol-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 18938487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).