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

C15H15F3N6OS — CID 24509249

IUPAC3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1
InChIInChI=1S/C15H15F3N6OS/c1-7-6-19-14(26-7)21-11(25)5-4-10-8(2)20-13-22-12(15(16,17)18)23-24(13)9(10)3/h6H,4-5H2,1-3H3,(H,19,21,25)
InChIKeyFCIWIBOBZHPCDS-UHFFFAOYSA-N
MW384.39 g/mol
LogP3.10
Rot. Bonds4

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

3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 24509249) has the molecular formula C15H15F3N6OS and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID24509249
Molecular FormulaC15H15F3N6OS
Molecular Weight384.39 g/mol
Exact Mass384.10
IUPAC Name3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)s1
InChIInChI=1S/C15H15F3N6OS/c1-7-6-19-14(26-7)21-11(25)5-4-10-8(2)20-13-22-12(15(16,17)18)23-24(13)9(10)3/h6H,4-5H2,1-3H3,(H,19,21,25)
InChIKeyFCIWIBOBZHPCDS-UHFFFAOYSA-N
XLogP3.10
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 3238939
N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415439
N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415451
N-[5-[[(3R,4S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415496
N-[5-[[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415499
N-[5-[[3-(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415508
N-[5-[[3-[(6-fluoro-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415546
N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415558
N-[5-[[3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415560
N-[5-[[(3R)-3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415600
N-[5-[[(3S,5R)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415606
N-[5-[[(3S)-3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-5-(trifluoromethyl)-2,3,4,7-tetrahydroazepin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146605247

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-methyl-1,3-thiazol-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-methyl-1,3-thiazol-2-yl)propanamide (CID 24509249) is 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-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-methyl-1,3-thiazol-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-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(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-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is FCIWIBOBZHPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6OS/c1-7-6-19-14(26-7)21-11(25)5-4-10-8(2)20-13-22-12(15(16,17)18)23-24(13)9(10)3/h6H,4-5H2,1-3H3,(H,19,21,25).
What are the key properties of 3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 384.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 24509249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).