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

C12H11F3N6S — CID 133412963

IUPACN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(CCc1nccs1)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C12H11F3N6S/c1-20(4-2-9-16-3-5-22-9)10-6-8(12(13,14)15)19-11-17-7-18-21(10)11/h3,5-7H,2,4H2,1H3
InChIKeyZVTSEMBHYNWTFK-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.28
Rot. Bonds4

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

N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133412963) has the molecular formula C12H11F3N6S and a molecular weight of 328.32 g/mol. Its IUPAC name is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133412963
Molecular FormulaC12H11F3N6S
Molecular Weight328.32 g/mol
Exact Mass328.07
IUPAC NameN-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(CCc1nccs1)c1cc(C(F)(F)F)nc2ncnn12
InChIInChI=1S/C12H11F3N6S/c1-20(4-2-9-16-3-5-22-9)10-6-8(12(13,14)15)19-11-17-7-18-21(10)11/h3,5-7H,2,4H2,1H3
InChIKeyZVTSEMBHYNWTFK-UHFFFAOYSA-N
XLogP2.28
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[6-[4-(Trifluoromethyl)pyrimidin-2-yl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1,3-thiazole
CID 71579008
2-[2-Butylsulfinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300264
2-[2-Butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300265
2-[2-Methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823397
3-(Thiazol-2-yl)-7-trifluoromethyl-imidazo[1,2-alpha]pyrimidine
CID 9835150
2-[3-(Trifluoromethyl)-1H-pyrazole-1-yl]-4-[(5-methyl-1,3,4-thiadiazole-2-yl)thio]-6-methylpyrimidine
CID 11394228
2-(Fluoromethyl)-4-(4-pyrazolo[1,5-a]pyrimidin-5-ylbut-1-ynyl)-1,3-thiazole
CID 46219024
6-[4-(1,3-Thiazol-2-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67341534
2-(Fluoromethyl)-4-[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)but-1-ynyl]-1,3-thiazole
CID 68607179
4-Propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole
CID 91146345
2-[2-Butylsulfanyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 135300460
2-(4-Ethylsulfanyl-1-methylpyrazol-3-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 169777808

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133412963) is N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN(CCc1nccs1)c1cc(C(F)(F)F)nc2ncnn12.
What is the InChIKey of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZVTSEMBHYNWTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N6S/c1-20(4-2-9-16-3-5-22-9)10-6-8(12(13,14)15)19-11-17-7-18-21(10)11/h3,5-7H,2,4H2,1H3.
What are the key properties of N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 328.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133412963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).