5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride

C9H10ClN3S — CID 11971460

IUPAC5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCc1ccccc1-c1nnc(N)s1.Cl
InChIInChI=1S/C9H9N3S.ClH/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8;/h2-5H,1H3,(H2,10,12);1H
InChIKeyOXBXUJABCFGVGU-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.52
Rot. Bonds1

About 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride

5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride (PubChem CID 11971460) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
PubChem CID11971460
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride
SMILESCc1ccccc1-c1nnc(N)s1.Cl
InChIInChI=1S/C9H9N3S.ClH/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8;/h2-5H,1H3,(H2,10,12);1H
InChIKeyOXBXUJABCFGVGU-UHFFFAOYSA-N
XLogP2.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The IUPAC name of 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride (CID 11971460) is 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride is Cc1ccccc1-c1nnc(N)s1.Cl.
What is the InChIKey of 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
The InChIKey is OXBXUJABCFGVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S.ClH/c1-6-4-2-3-5-7(6)8-11-12-9(10)13-8;/h2-5H,1H3,(H2,10,12);1H.
What are the key properties of 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride?
5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride has a molecular weight of 227.72 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-1,3,4-thiadiazol-2-amine;hydrochloride is sourced from PubChem (CID 11971460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).