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

C14H15F3N4S — CID 24913194

IUPAC2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCc3nc(C(F)(F)F)ncc3C2)s1
InChIInChI=1S/C14H15F3N4S/c1-8-12(22-9(2)19-8)7-21-4-3-11-10(6-21)5-18-13(20-11)14(15,16)17/h5H,3-4,6-7H2,1-2H3
InChIKeyRRXQVXDSEQZHQA-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.13
Rot. Bonds2

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

2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (PubChem CID 24913194) has the molecular formula C14H15F3N4S and a molecular weight of 328.36 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
PubChem CID24913194
Molecular FormulaC14H15F3N4S
Molecular Weight328.36 g/mol
Exact Mass328.10
IUPAC Name2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCc3nc(C(F)(F)F)ncc3C2)s1
InChIInChI=1S/C14H15F3N4S/c1-8-12(22-9(2)19-8)7-21-4-3-11-10(6-21)5-18-13(20-11)14(15,16)17/h5H,3-4,6-7H2,1-2H3
InChIKeyRRXQVXDSEQZHQA-UHFFFAOYSA-N
XLogP3.13
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (CID 24913194) is 2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole is Cc1nc(C)c(CN2CCc3nc(C(F)(F)F)ncc3C2)s1.
What is the InChIKey of 2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The InChIKey is RRXQVXDSEQZHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4S/c1-8-12(22-9(2)19-8)7-21-4-3-11-10(6-21)5-18-13(20-11)14(15,16)17/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole has a molecular weight of 328.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 24913194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).