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

C16H16FN5S — CID 42403315

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1nc(CCNc2nncc(-c3ccc(F)cc3)n2)sc1C
InChIInChI=1S/C16H16FN5S/c1-10-11(2)23-15(20-10)7-8-18-16-21-14(9-19-22-16)12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,18,21,22)
InChIKeyTWNASNTZXPIQQI-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.41
Rot. Bonds5

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

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 42403315) has the molecular formula C16H16FN5S and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID42403315
Molecular FormulaC16H16FN5S
Molecular Weight329.40 g/mol
Exact Mass329.11
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCc1nc(CCNc2nncc(-c3ccc(F)cc3)n2)sc1C
InChIInChI=1S/C16H16FN5S/c1-10-11(2)23-15(20-10)7-8-18-16-21-14(9-19-22-16)12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,18,21,22)
InChIKeyTWNASNTZXPIQQI-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine (CID 42403315) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is Cc1nc(CCNc2nncc(-c3ccc(F)cc3)n2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is TWNASNTZXPIQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5S/c1-10-11(2)23-15(20-10)7-8-18-16-21-14(9-19-22-16)12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,18,21,22).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 329.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42403315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).