(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride

C9H10ClN3S — CID 71756124

IUPAC(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H9N3S.ClH/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7;/h1-5H,6,10H2;1H
InChIKeyBSFKTKMNWYASNP-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.09
Rot. Bonds2

About (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride

(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride (PubChem CID 71756124) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
PubChem CID71756124
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H9N3S.ClH/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7;/h1-5H,6,10H2;1H
InChIKeyBSFKTKMNWYASNP-UHFFFAOYSA-N
XLogP2.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride (CID 71756124) is (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride is Cl.NCc1nnc(-c2ccccc2)s1.
What is the InChIKey of (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
The InChIKey is BSFKTKMNWYASNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S.ClH/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7;/h1-5H,6,10H2;1H.
What are the key properties of (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride?
(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride has a molecular weight of 227.72 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 71756124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).