2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide

C18H17F3N6O2S — CID 163219305

IUPAC2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2cc(C(F)(F)F)ncn2)c(=O)c2sc(C3CC3)nc12
InChIInChI=1S/C18H17F3N6O2S/c1-8(2)13-14-15(30-16(25-14)9-3-4-9)17(29)27(26-13)6-12(28)24-11-5-10(18(19,20)21)22-7-23-11/h5,7-9H,3-4,6H2,1-2H3,(H,22,23,24,28)
InChIKeyKAGVIYLDWVCJCA-UHFFFAOYSA-N
MW438.44 g/mol
LogP3.30
Rot. Bonds5

About 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide

2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide (PubChem CID 163219305) has the molecular formula C18H17F3N6O2S and a molecular weight of 438.44 g/mol. Its IUPAC name is 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
PubChem CID163219305
Molecular FormulaC18H17F3N6O2S
Molecular Weight438.44 g/mol
Exact Mass438.11
IUPAC Name2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
SMILESCC(C)c1nn(CC(=O)Nc2cc(C(F)(F)F)ncn2)c(=O)c2sc(C3CC3)nc12
InChIInChI=1S/C18H17F3N6O2S/c1-8(2)13-14-15(30-16(25-14)9-3-4-9)17(29)27(26-13)6-12(28)24-11-5-10(18(19,20)21)22-7-23-11/h5,7-9H,3-4,6H2,1-2H3,(H,22,23,24,28)
InChIKeyKAGVIYLDWVCJCA-UHFFFAOYSA-N
XLogP3.30
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-imidazo[1,2-a]pyrimidin-7-ylacetamide
CID 163219359
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
CID 166803404
2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)acetamide
CID 163219352
2-[5-oxo-8-propan-2-yl-2-(trifluoromethyl)pyrido[2,3-d]pyridazin-6-yl]-N-pyrimidin-2-ylacetamide
CID 176648399
2-[7-oxo-4-propan-2-yl-2-(trifluoromethyl)-[1,3]thiazolo[4,5-d]pyridazin-6-yl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)acetamide
CID 163219297
2-(2-cyclopropyl-5-oxo-8-propan-2-ylpyrido[2,3-d]pyridazin-6-yl)-N-(5-fluoropyrimidin-2-yl)acetamide
CID 172632646
2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
CID 162364299
2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
CID 156890271
2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 162364047
propan-2-yl 2-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19520867
2-[7-oxo-4-propan-2-yl-2-(2,2,2-trifluoroethylamino)thieno[2,3-d]pyridazin-6-yl]acetic acid
CID 176648411
N-(4-hydroxycyclohexyl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363900

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide (CID 163219305) is 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide is CC(C)c1nn(CC(=O)Nc2cc(C(F)(F)F)ncn2)c(=O)c2sc(C3CC3)nc12.
What is the InChIKey of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide?
The InChIKey is KAGVIYLDWVCJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2S/c1-8(2)13-14-15(30-16(25-14)9-3-4-9)17(29)27(26-13)6-12(28)24-11-5-10(18(19,20)21)22-7-23-11/h5,7-9H,3-4,6H2,1-2H3,(H,22,23,24,28).
What are the key properties of 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide?
2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide has a molecular weight of 438.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-7-oxo-4-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-6-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 163219305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).