5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine

C14H12FN5S — CID 26407360

IUPAC5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCN(Cc1nccs1)c1nncc(-c2ccccc2F)n1
InChIInChI=1S/C14H12FN5S/c1-20(9-13-16-6-7-21-13)14-18-12(8-17-19-14)10-4-2-3-5-11(10)15/h2-8H,9H2,1H3
InChIKeyJJPNEXKSZHSDBJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.77
Rot. Bonds4

About 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine

5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine (PubChem CID 26407360) has the molecular formula C14H12FN5S and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
PubChem CID26407360
Molecular FormulaC14H12FN5S
Molecular Weight301.35 g/mol
Exact Mass301.08
IUPAC Name5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
SMILESCN(Cc1nccs1)c1nncc(-c2ccccc2F)n1
InChIInChI=1S/C14H12FN5S/c1-20(9-13-16-6-7-21-13)14-18-12(8-17-19-14)10-4-2-3-5-11(10)15/h2-8H,9H2,1H3
InChIKeyJJPNEXKSZHSDBJ-UHFFFAOYSA-N
XLogP2.77
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine (CID 26407360) is 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine is CN(Cc1nccs1)c1nncc(-c2ccccc2F)n1.
What is the InChIKey of 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine?
The InChIKey is JJPNEXKSZHSDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5S/c1-20(9-13-16-6-7-21-13)14-18-12(8-17-19-14)10-4-2-3-5-11(10)15/h2-8H,9H2,1H3.
What are the key properties of 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine?
5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine has a molecular weight of 301.35 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 26407360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).