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

C12H9Cl2F3N4S — CID 24911115

IUPAC2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1sc(Cl)nc1Cl)C2
InChIInChI=1S/C12H9Cl2F3N4S/c13-9-8(22-11(14)20-9)5-21-2-1-7-6(4-21)3-18-10(19-7)12(15,16)17/h3H,1-2,4-5H2
InChIKeyKKTJKWKSWIJUCM-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.82
Rot. Bonds2

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

2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (PubChem CID 24911115) has the molecular formula C12H9Cl2F3N4S and a molecular weight of 369.20 g/mol. Its IUPAC name is 2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
PubChem CID24911115
Molecular FormulaC12H9Cl2F3N4S
Molecular Weight369.20 g/mol
Exact Mass367.99
IUPAC Name2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1sc(Cl)nc1Cl)C2
InChIInChI=1S/C12H9Cl2F3N4S/c13-9-8(22-11(14)20-9)5-21-2-1-7-6(4-21)3-18-10(19-7)12(15,16)17/h3H,1-2,4-5H2
InChIKeyKKTJKWKSWIJUCM-UHFFFAOYSA-N
XLogP3.82
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (CID 24911115) is 2,4-dichloro-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-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole is FC(F)(F)c1ncc2c(n1)CCN(Cc1sc(Cl)nc1Cl)C2.
What is the InChIKey of 2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The InChIKey is KKTJKWKSWIJUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N4S/c13-9-8(22-11(14)20-9)5-21-2-1-7-6(4-21)3-18-10(19-7)12(15,16)17/h3H,1-2,4-5H2.
What are the key properties of 2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole has a molecular weight of 369.20 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 24911115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).