4-(aminomethyl)-N-phenylthiadiazol-5-amine

C9H10N4S — CID 12051746

IUPAC4-(aminomethyl)-N-phenylthiadiazol-5-amine
SMILESNCc1nnsc1Nc1ccccc1
InChIInChI=1S/C9H10N4S/c10-6-8-9(14-13-12-8)11-7-4-2-1-3-5-7/h1-5,11H,6,10H2
InChIKeyGTEATIAGACABDQ-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.74
Rot. Bonds3

About 4-(aminomethyl)-N-phenylthiadiazol-5-amine

4-(aminomethyl)-N-phenylthiadiazol-5-amine (PubChem CID 12051746) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-(aminomethyl)-N-phenylthiadiazol-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-phenylthiadiazol-5-amine
PubChem CID12051746
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name4-(aminomethyl)-N-phenylthiadiazol-5-amine
SMILESNCc1nnsc1Nc1ccccc1
InChIInChI=1S/C9H10N4S/c10-6-8-9(14-13-12-8)11-7-4-2-1-3-5-7/h1-5,11H,6,10H2
InChIKeyGTEATIAGACABDQ-UHFFFAOYSA-N
XLogP1.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-phenylthiadiazol-5-amine?
The IUPAC name of 4-(aminomethyl)-N-phenylthiadiazol-5-amine (CID 12051746) is 4-(aminomethyl)-N-phenylthiadiazol-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-phenylthiadiazol-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-phenylthiadiazol-5-amine is NCc1nnsc1Nc1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N-phenylthiadiazol-5-amine?
The InChIKey is GTEATIAGACABDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c10-6-8-9(14-13-12-8)11-7-4-2-1-3-5-7/h1-5,11H,6,10H2.
What are the key properties of 4-(aminomethyl)-N-phenylthiadiazol-5-amine?
4-(aminomethyl)-N-phenylthiadiazol-5-amine has a molecular weight of 206.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-phenylthiadiazol-5-amine is sourced from PubChem (CID 12051746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).