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

C10H10FN3S — CID 56686493

IUPAC5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine
SMILESCC1SC(N)=NN=C1c1ccc(F)cc1
InChIInChI=1S/C10H10FN3S/c1-6-9(13-14-10(12)15-6)7-2-4-8(11)5-3-7/h2-6H,1H3,(H2,12,14)
InChIKeyRKEQTDAQANXJDS-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.98
Rot. Bonds1

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

5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine (PubChem CID 56686493) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine
PubChem CID56686493
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine
SMILESCC1SC(N)=NN=C1c1ccc(F)cc1
InChIInChI=1S/C10H10FN3S/c1-6-9(13-14-10(12)15-6)7-2-4-8(11)5-3-7/h2-6H,1H3,(H2,12,14)
InChIKeyRKEQTDAQANXJDS-UHFFFAOYSA-N
XLogP1.98
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine (CID 56686493) is 5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine is CC1SC(N)=NN=C1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine?
The InChIKey is RKEQTDAQANXJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-6-9(13-14-10(12)15-6)7-2-4-8(11)5-3-7/h2-6H,1H3,(H2,12,14).
What are the key properties of 5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine?
5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-6H-1,3,4-thiadiazin-2-amine is sourced from PubChem (CID 56686493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).