3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C15H16F3N7OS — CID 26466310

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1
InChIInChI=1S/C15H16F3N7OS/c1-4-11-22-23-14(27-11)20-10(26)6-5-9-7(2)19-13-21-12(15(16,17)18)24-25(13)8(9)3/h4-6H2,1-3H3,(H,20,23,26)
InChIKeyGYPYOLSYESJOSX-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.75
Rot. Bonds5

About 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 26466310) has the molecular formula C15H16F3N7OS and a molecular weight of 399.40 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID26466310
Molecular FormulaC15H16F3N7OS
Molecular Weight399.40 g/mol
Exact Mass399.11
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1
InChIInChI=1S/C15H16F3N7OS/c1-4-11-22-23-14(27-11)20-10(26)6-5-9-7(2)19-13-21-12(15(16,17)18)24-25(13)8(9)3/h4-6H2,1-3H3,(H,20,23,26)
InChIKeyGYPYOLSYESJOSX-UHFFFAOYSA-N
XLogP2.75
TPSA97.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 26466310) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1.
What is the InChIKey of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is GYPYOLSYESJOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N7OS/c1-4-11-22-23-14(27-11)20-10(26)6-5-9-7(2)19-13-21-12(15(16,17)18)24-25(13)8(9)3/h4-6H2,1-3H3,(H,20,23,26).
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 399.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 26466310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).