3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide

C19H14F3N5O2S — CID 133286226

IUPAC3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide
SMILESCc1cc(Oc2ccc(NC(=O)c3sccc3C)cc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C19H14F3N5O2S/c1-10-7-8-30-15(10)16(28)24-12-3-5-13(6-4-12)29-14-9-11(2)23-18-25-17(19(20,21)22)26-27(14)18/h3-9H,1-2H3,(H,24,28)
InChIKeyNHYZVBIRWYCPFH-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.87
Rot. Bonds4

About 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide

3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide (PubChem CID 133286226) has the molecular formula C19H14F3N5O2S and a molecular weight of 433.42 g/mol. Its IUPAC name is 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide
PubChem CID133286226
Molecular FormulaC19H14F3N5O2S
Molecular Weight433.42 g/mol
Exact Mass433.08
IUPAC Name3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide
SMILESCc1cc(Oc2ccc(NC(=O)c3sccc3C)cc2)n2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C19H14F3N5O2S/c1-10-7-8-30-15(10)16(28)24-12-3-5-13(6-4-12)29-14-9-11(2)23-18-25-17(19(20,21)22)26-27(14)18/h3-9H,1-2H3,(H,24,28)
InChIKeyNHYZVBIRWYCPFH-UHFFFAOYSA-N
XLogP4.87
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]thiophene-2-carboxamide
CID 133286200
7-[4-(1,3-dithiolan-2-yl)phenoxy]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 55591210
N-[4-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]-3-methylthiophene-2-carboxamide
CID 133286237
2-bromo-5-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]benzaldehyde
CID 133384808
3-methyl-N-[4-(tetrazolo[1,5-b]pyridazin-6-yloxy)phenyl]thiophene-2-carboxamide
CID 133286212
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
4-methyl-N-[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 162714860
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide (CID 133286226) is 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide is Cc1cc(Oc2ccc(NC(=O)c3sccc3C)cc2)n2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide?
The InChIKey is NHYZVBIRWYCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S/c1-10-7-8-30-15(10)16(28)24-12-3-5-13(6-4-12)29-14-9-11(2)23-18-25-17(19(20,21)22)26-27(14)18/h3-9H,1-2H3,(H,24,28).
What are the key properties of 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide?
3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]oxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 133286226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).