[4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride

C9H10ClN3S — CID 2737287

IUPAC[4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H9N3S.ClH/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9;/h1-4,6H,5,10H2;1H
InChIKeyWUUGGOQPXZDQNW-UHFFFAOYSA-N
MW227.72 g/mol
LogP2.09
Rot. Bonds2

About [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride

[4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride (PubChem CID 2737287) has the molecular formula C9H10ClN3S and a molecular weight of 227.72 g/mol. Its IUPAC name is [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride
PubChem CID2737287
Molecular FormulaC9H10ClN3S
Molecular Weight227.72 g/mol
Exact Mass227.03
IUPAC Name[4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H9N3S.ClH/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9;/h1-4,6H,5,10H2;1H
InChIKeyWUUGGOQPXZDQNW-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 [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride (CID 2737287) is [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2csnn2)cc1.
What is the InChIKey of [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride?
The InChIKey is WUUGGOQPXZDQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S.ClH/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9;/h1-4,6H,5,10H2;1H.
What are the key properties of [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride?
[4-(thiadiazol-4-yl)phenyl]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 [4-(thiadiazol-4-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 2737287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).