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

C14H15F3N6S — CID 47983960

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc(CN(C)c2cc(C)nc3nc(C(F)(F)F)nn23)cs1
InChIInChI=1S/C14H15F3N6S/c1-4-10-19-9(7-24-10)6-22(3)11-5-8(2)18-13-20-12(14(15,16)17)21-23(11)13/h5,7H,4,6H2,1-3H3
InChIKeyBXRAEHYJSWOKMM-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.11
Rot. Bonds4

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 47983960) has the molecular formula C14H15F3N6S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID47983960
Molecular FormulaC14H15F3N6S
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1nc(CN(C)c2cc(C)nc3nc(C(F)(F)F)nn23)cs1
InChIInChI=1S/C14H15F3N6S/c1-4-10-19-9(7-24-10)6-22(3)11-5-8(2)18-13-20-12(14(15,16)17)21-23(11)13/h5,7H,4,6H2,1-3H3
InChIKeyBXRAEHYJSWOKMM-UHFFFAOYSA-N
XLogP3.11
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 47983960) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CCc1nc(CN(C)c2cc(C)nc3nc(C(F)(F)F)nn23)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BXRAEHYJSWOKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6S/c1-4-10-19-9(7-24-10)6-22(3)11-5-8(2)18-13-20-12(14(15,16)17)21-23(11)13/h5,7H,4,6H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 356.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,5-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 47983960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).