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

C15H17F3N4S — CID 24915861

IUPAC2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESCC(C)c1nc(CN2CCc3nc(C(F)(F)F)ncc3C2)cs1
InChIInChI=1S/C15H17F3N4S/c1-9(2)13-20-11(8-23-13)7-22-4-3-12-10(6-22)5-19-14(21-12)15(16,17)18/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyFLAWQHSPKKCRJN-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.63
Rot. Bonds3

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

2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (PubChem CID 24915861) has the molecular formula C15H17F3N4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
PubChem CID24915861
Molecular FormulaC15H17F3N4S
Molecular Weight342.39 g/mol
Exact Mass342.11
IUPAC Name2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESCC(C)c1nc(CN2CCc3nc(C(F)(F)F)ncc3C2)cs1
InChIInChI=1S/C15H17F3N4S/c1-9(2)13-20-11(8-23-13)7-22-4-3-12-10(6-22)5-19-14(21-12)15(16,17)18/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyFLAWQHSPKKCRJN-UHFFFAOYSA-N
XLogP3.63
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (CID 24915861) is 2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole is CC(C)c1nc(CN2CCc3nc(C(F)(F)F)ncc3C2)cs1.
What is the InChIKey of 2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The InChIKey is FLAWQHSPKKCRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4S/c1-9(2)13-20-11(8-23-13)7-22-4-3-12-10(6-22)5-19-14(21-12)15(16,17)18/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole has a molecular weight of 342.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 24915861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).