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

C9H9N3S — CID 13104124

IUPAC(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESNCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H9N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
InChIKeyXUJWBTRPNYDMJM-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.66
Rot. Bonds2

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

(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine (PubChem CID 13104124) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine
PubChem CID13104124
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESNCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H9N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
InChIKeyXUJWBTRPNYDMJM-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 (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine?
The IUPAC name of (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine (CID 13104124) is (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine.
What is the SMILES notation for (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine?
The canonical SMILES for (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine is NCc1nnc(-c2ccccc2)s1.
What is the InChIKey of (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine?
The InChIKey is XUJWBTRPNYDMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6,10H2.
What are the key properties of (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine?
(5-phenyl-1,3,4-thiadiazol-2-yl)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 (5-phenyl-1,3,4-thiadiazol-2-yl)methanamine is sourced from PubChem (CID 13104124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).