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

C19H15F3N6OS — CID 16622382

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H15F3N6OS/c1-10-13(11(2)28-17(23-10)26-16(27-28)19(20,21)22)8-15(29)25-18-24-14(9-30-18)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,24,25,29)
InChIKeyLUWIOOZWYKHFNS-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.06
Rot. Bonds4

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

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 16622382) has the molecular formula C19H15F3N6OS and a molecular weight of 432.43 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID16622382
Molecular FormulaC19H15F3N6OS
Molecular Weight432.43 g/mol
Exact Mass432.10
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H15F3N6OS/c1-10-13(11(2)28-17(23-10)26-16(27-28)19(20,21)22)8-15(29)25-18-24-14(9-30-18)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,24,25,29)
InChIKeyLUWIOOZWYKHFNS-UHFFFAOYSA-N
XLogP4.06
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]acetamide
CID 87432100
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 651614
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 3143516
3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945494
2-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl}acetohydrazide
CID 1472827
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945543
1-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 117763938
1-(2-Ethyl-3-((4-(4-fluorophenyl) thiazol-2-yl)(methyl)amino) imidazo[1,2-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 117764304
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 3167554
2-(5-tert-Butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 3227432
Acetamide, N-(3-(4-methylphenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 1498356
Acetamide, N-(3-phenyl-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 1498360

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 16622382) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LUWIOOZWYKHFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6OS/c1-10-13(11(2)28-17(23-10)26-16(27-28)19(20,21)22)8-15(29)25-18-24-14(9-30-18)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H,24,25,29).
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 432.43 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16622382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).