5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine

C10H11N3S — CID 4269747

IUPAC5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine
SMILESCc1ccc(C2=NN=C(N)SC2)cc1
InChIInChI=1S/C10H11N3S/c1-7-2-4-8(5-3-7)9-6-14-10(11)13-12-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyUNRIOSZJTUNHIA-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.76
Rot. Bonds1

About 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine

5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine (PubChem CID 4269747) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine
PubChem CID4269747
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine
SMILESCc1ccc(C2=NN=C(N)SC2)cc1
InChIInChI=1S/C10H11N3S/c1-7-2-4-8(5-3-7)9-6-14-10(11)13-12-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKeyUNRIOSZJTUNHIA-UHFFFAOYSA-N
XLogP1.76
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine (CID 4269747) is 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine is Cc1ccc(C2=NN=C(N)SC2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is UNRIOSZJTUNHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-2-4-8(5-3-7)9-6-14-10(11)13-12-9/h2-5H,6H2,1H3,(H2,11,13).
What are the key properties of 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine?
5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 205.29 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 4269747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).