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

C11H9N3S — CID 3921207

IUPAC2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cc3ccccc3[nH]2)s1
InChIInChI=1S/C11H9N3S/c1-7-13-14-11(15-7)10-6-8-4-2-3-5-9(8)12-10/h2-6,12H,1H3
InChIKeyHYFYBLRYNIGKQH-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.99
Rot. Bonds1

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

2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole (PubChem CID 3921207) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole
PubChem CID3921207
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(-c2cc3ccccc3[nH]2)s1
InChIInChI=1S/C11H9N3S/c1-7-13-14-11(15-7)10-6-8-4-2-3-5-9(8)12-10/h2-6,12H,1H3
InChIKeyHYFYBLRYNIGKQH-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole (CID 3921207) is 2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole is Cc1nnc(-c2cc3ccccc3[nH]2)s1.
What is the InChIKey of 2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole?
The InChIKey is HYFYBLRYNIGKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-7-13-14-11(15-7)10-6-8-4-2-3-5-9(8)12-10/h2-6,12H,1H3.
What are the key properties of 2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole?
2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole has a molecular weight of 215.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-2-yl)-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 3921207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).