5-phenyl-6H-1,3,4-thiadiazin-2-amine

C9H9N3S — CID 667837

IUPAC5-phenyl-6H-1,3,4-thiadiazin-2-amine
SMILESNC1=NN=C(c2ccccc2)CS1
InChIInChI=1S/C9H9N3S/c10-9-12-11-8(6-13-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeySCQDMIFRQDAQPV-UHFFFAOYSA-N
MW191.26 g/mol
LogP1.45
Rot. Bonds1

About 5-phenyl-6H-1,3,4-thiadiazin-2-amine

5-phenyl-6H-1,3,4-thiadiazin-2-amine (PubChem CID 667837) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-phenyl-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name5-phenyl-6H-1,3,4-thiadiazin-2-amine
PubChem CID667837
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name5-phenyl-6H-1,3,4-thiadiazin-2-amine
SMILESNC1=NN=C(c2ccccc2)CS1
InChIInChI=1S/C9H9N3S/c10-9-12-11-8(6-13-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKeySCQDMIFRQDAQPV-UHFFFAOYSA-N
XLogP1.45
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 5-phenyl-6H-1,3,4-thiadiazin-2-amine (CID 667837) is 5-phenyl-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 5-phenyl-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 5-phenyl-6H-1,3,4-thiadiazin-2-amine is NC1=NN=C(c2ccccc2)CS1.
What is the InChIKey of 5-phenyl-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is SCQDMIFRQDAQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c10-9-12-11-8(6-13-9)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12).
What are the key properties of 5-phenyl-6H-1,3,4-thiadiazin-2-amine?
5-phenyl-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 191.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 667837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).