N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H9F3N6S — CID 133272607

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ncc(CNc2cc(C(F)(F)F)nc3ncnn23)s1
InChIInChI=1S/C11H9F3N6S/c1-6-15-3-7(21-6)4-16-9-2-8(11(12,13)14)19-10-17-5-18-20(9)10/h2-3,5,16H,4H2,1H3
InChIKeyALAMJUBOLOGVQZ-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.52
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133272607) has the molecular formula C11H9F3N6S and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133272607
Molecular FormulaC11H9F3N6S
Molecular Weight314.30 g/mol
Exact Mass314.06
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ncc(CNc2cc(C(F)(F)F)nc3ncnn23)s1
InChIInChI=1S/C11H9F3N6S/c1-6-15-3-7(21-6)4-16-9-2-8(11(12,13)14)19-10-17-5-18-20(9)10/h2-3,5,16H,4H2,1H3
InChIKeyALAMJUBOLOGVQZ-UHFFFAOYSA-N
XLogP2.52
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-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-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133272607) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1ncc(CNc2cc(C(F)(F)F)nc3ncnn23)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ALAMJUBOLOGVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6S/c1-6-15-3-7(21-6)4-16-9-2-8(11(12,13)14)19-10-17-5-18-20(9)10/h2-3,5,16H,4H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 314.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133272607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).