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

C13H13F3N6S — CID 133413014

IUPACN,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)CCc2nccs2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H13F3N6S/c1-8-7-10(21(2)5-3-9-17-4-6-23-9)22-12(18-8)19-11(20-22)13(14,15)16/h4,6-7H,3,5H2,1-2H3
InChIKeyTWRWMICQTCBKSZ-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.59
Rot. Bonds4

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

N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 133413014) has the molecular formula C13H13F3N6S and a molecular weight of 342.35 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID133413014
Molecular FormulaC13H13F3N6S
Molecular Weight342.35 g/mol
Exact Mass342.09
IUPAC NameN,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)CCc2nccs2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H13F3N6S/c1-8-7-10(21(2)5-3-9-17-4-6-23-9)22-12(18-8)19-11(20-22)13(14,15)16/h4,6-7H,3,5H2,1-2H3
InChIKeyTWRWMICQTCBKSZ-UHFFFAOYSA-N
XLogP2.59
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-thiazole
CID 118525795
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-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole
CID 2823381
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
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-4-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 67340793
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
6-(5-Methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 70843532

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 133413014) is N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)CCc2nccs2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is TWRWMICQTCBKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6S/c1-8-7-10(21(2)5-3-9-17-4-6-23-9)22-12(18-8)19-11(20-22)13(14,15)16/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 342.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 133413014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).