5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine

C16H16FN5S — CID 42381331

IUPAC5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine
SMILESCC(C)c1nc(CNc2nncc(-c3cccc(F)c3)n2)cs1
InChIInChI=1S/C16H16FN5S/c1-10(2)15-20-13(9-23-15)7-18-16-21-14(8-19-22-16)11-4-3-5-12(17)6-11/h3-6,8-10H,7H2,1-2H3,(H,18,21,22)
InChIKeyOSXOBKDUSBTHCF-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.87
Rot. Bonds5

About 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine

5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine (PubChem CID 42381331) has the molecular formula C16H16FN5S and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine
PubChem CID42381331
Molecular FormulaC16H16FN5S
Molecular Weight329.40 g/mol
Exact Mass329.11
IUPAC Name5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine
SMILESCC(C)c1nc(CNc2nncc(-c3cccc(F)c3)n2)cs1
InChIInChI=1S/C16H16FN5S/c1-10(2)15-20-13(9-23-15)7-18-16-21-14(8-19-22-16)11-4-3-5-12(17)6-11/h3-6,8-10H,7H2,1-2H3,(H,18,21,22)
InChIKeyOSXOBKDUSBTHCF-UHFFFAOYSA-N
XLogP3.87
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine (CID 42381331) is 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine is CC(C)c1nc(CNc2nncc(-c3cccc(F)c3)n2)cs1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine?
The InChIKey is OSXOBKDUSBTHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5S/c1-10(2)15-20-13(9-23-15)7-18-16-21-14(8-19-22-16)11-4-3-5-12(17)6-11/h3-6,8-10H,7H2,1-2H3,(H,18,21,22).
What are the key properties of 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine?
5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine has a molecular weight of 329.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 42381331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).