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

C13H11F3N6S — CID 56790910

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NCc2csc(C3CC3)n2)n2ncnc2n1
InChIInChI=1S/C13H11F3N6S/c14-13(15,16)9-3-10(22-12(21-9)18-6-19-22)17-4-8-5-23-11(20-8)7-1-2-7/h3,5-7,17H,1-2,4H2
InChIKeyMCIVRUGKMIVVHB-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.09
Rot. Bonds4

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56790910) has the molecular formula C13H11F3N6S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID56790910
Molecular FormulaC13H11F3N6S
Molecular Weight340.33 g/mol
Exact Mass340.07
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESFC(F)(F)c1cc(NCc2csc(C3CC3)n2)n2ncnc2n1
InChIInChI=1S/C13H11F3N6S/c14-13(15,16)9-3-10(22-12(21-9)18-6-19-22)17-4-8-5-23-11(20-8)7-1-2-7/h3,5-7,17H,1-2,4H2
InChIKeyMCIVRUGKMIVVHB-UHFFFAOYSA-N
XLogP3.09
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,5-trimethyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70770351
N~7~-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl][1,2,4]triazolo[4,3-c]pyrimidine-5,7-diamine
CID 131944685
4-Propan-2-yl-2-[2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]-1,3-thiazole
CID 91146345
4-Ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]pyrazol-5-amine
CID 169180030
1-Pyrimidin-2-yl-3-(trifluoromethyl)-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-amine
CID 171789239
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 18155796
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47022869
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47044496
N-methyl-N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 47983853
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
N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 49430783
5-methyl-N-(1,3-thiazol-4-ylmethyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 49430796

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 56790910) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is FC(F)(F)c1cc(NCc2csc(C3CC3)n2)n2ncnc2n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MCIVRUGKMIVVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6S/c14-13(15,16)9-3-10(22-12(21-9)18-6-19-22)17-4-8-5-23-11(20-8)7-1-2-7/h3,5-7,17H,1-2,4H2.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 340.33 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56790910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).