2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole

C12H11F3N4S — CID 24910023

IUPAC2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1nccs1)C2
InChIInChI=1S/C12H11F3N4S/c13-12(14,15)11-17-5-8-6-19(3-1-9(8)18-11)7-10-16-2-4-20-10/h2,4-5H,1,3,6-7H2
InChIKeyVXISZYDIRZSYHH-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.51
Rot. Bonds2

About 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole

2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (PubChem CID 24910023) has the molecular formula C12H11F3N4S and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
PubChem CID24910023
Molecular FormulaC12H11F3N4S
Molecular Weight300.31 g/mol
Exact Mass300.07
IUPAC Name2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1nccs1)C2
InChIInChI=1S/C12H11F3N4S/c13-12(14,15)11-17-5-8-6-19(3-1-9(8)18-11)7-10-16-2-4-20-10/h2,4-5H,1,3,6-7H2
InChIKeyVXISZYDIRZSYHH-UHFFFAOYSA-N
XLogP2.51
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (CID 24910023) is 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole is FC(F)(F)c1ncc2c(n1)CCN(Cc1nccs1)C2.
What is the InChIKey of 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The InChIKey is VXISZYDIRZSYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4S/c13-12(14,15)11-17-5-8-6-19(3-1-9(8)18-11)7-10-16-2-4-20-10/h2,4-5H,1,3,6-7H2.
What are the key properties of 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole has a molecular weight of 300.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 24910023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).