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

C9H9N3S — CID 2737288

IUPAC[4-(thiadiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2
InChIKeyFWSCINFUBQNPJM-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.66
Rot. Bonds2

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

[4-(thiadiazol-4-yl)phenyl]methanamine (PubChem CID 2737288) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is [4-(thiadiazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(thiadiazol-4-yl)phenyl]methanamine
PubChem CID2737288
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name[4-(thiadiazol-4-yl)phenyl]methanamine
SMILESNCc1ccc(-c2csnn2)cc1
InChIInChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2
InChIKeyFWSCINFUBQNPJM-UHFFFAOYSA-N
XLogP1.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.66
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?
The IUPAC name of [4-(thiadiazol-4-yl)phenyl]methanamine (CID 2737288) is [4-(thiadiazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4-(thiadiazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4-(thiadiazol-4-yl)phenyl]methanamine is NCc1ccc(-c2csnn2)cc1.
What is the InChIKey of [4-(thiadiazol-4-yl)phenyl]methanamine?
The InChIKey is FWSCINFUBQNPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-5-7-1-3-8(4-2-7)9-6-13-12-11-9/h1-4,6H,5,10H2.
What are the key properties of [4-(thiadiazol-4-yl)phenyl]methanamine?
[4-(thiadiazol-4-yl)phenyl]methanamine has a molecular weight of 191.26 g/mol, XLogP of 1.66, 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 is sourced from PubChem (CID 2737288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).