4-methyl-N-phenylthiadiazol-5-amine

C9H9N3S — CID 555560

IUPAC4-methyl-N-phenylthiadiazol-5-amine
SMILESCc1nnsc1Nc1ccccc1
InChIInChI=1S/C9H9N3S/c1-7-9(13-12-11-7)10-8-5-3-2-4-6-8/h2-6,10H,1H3
InChIKeyRMNIUFWRXNVZHN-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.59
Rot. Bonds2

About 4-methyl-N-phenylthiadiazol-5-amine

4-methyl-N-phenylthiadiazol-5-amine (PubChem CID 555560) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 4-methyl-N-phenylthiadiazol-5-amine.

Molecular Properties

Compound Name4-methyl-N-phenylthiadiazol-5-amine
PubChem CID555560
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name4-methyl-N-phenylthiadiazol-5-amine
SMILESCc1nnsc1Nc1ccccc1
InChIInChI=1S/C9H9N3S/c1-7-9(13-12-11-7)10-8-5-3-2-4-6-8/h2-6,10H,1H3
InChIKeyRMNIUFWRXNVZHN-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenylthiadiazol-5-amine?
The IUPAC name of 4-methyl-N-phenylthiadiazol-5-amine (CID 555560) is 4-methyl-N-phenylthiadiazol-5-amine.
What is the SMILES notation for 4-methyl-N-phenylthiadiazol-5-amine?
The canonical SMILES for 4-methyl-N-phenylthiadiazol-5-amine is Cc1nnsc1Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenylthiadiazol-5-amine?
The InChIKey is RMNIUFWRXNVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-7-9(13-12-11-7)10-8-5-3-2-4-6-8/h2-6,10H,1H3.
What are the key properties of 4-methyl-N-phenylthiadiazol-5-amine?
4-methyl-N-phenylthiadiazol-5-amine has a molecular weight of 191.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenylthiadiazol-5-amine is sourced from PubChem (CID 555560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).