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

C12H10ClF3N4S — CID 24911472

IUPAC2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1cnc(Cl)s1)C2
InChIInChI=1S/C12H10ClF3N4S/c13-11-18-4-8(21-11)6-20-2-1-9-7(5-20)3-17-10(19-9)12(14,15)16/h3-4H,1-2,5-6H2
InChIKeyPXYPWXWEGOVVCN-UHFFFAOYSA-N
MW334.75 g/mol
LogP3.16
Rot. Bonds2

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

2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (PubChem CID 24911472) has the molecular formula C12H10ClF3N4S and a molecular weight of 334.75 g/mol. Its IUPAC name is 2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
PubChem CID24911472
Molecular FormulaC12H10ClF3N4S
Molecular Weight334.75 g/mol
Exact Mass334.03
IUPAC Name2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1ncc2c(n1)CCN(Cc1cnc(Cl)s1)C2
InChIInChI=1S/C12H10ClF3N4S/c13-11-18-4-8(21-11)6-20-2-1-9-7(5-20)3-17-10(19-9)12(14,15)16/h3-4H,1-2,5-6H2
InChIKeyPXYPWXWEGOVVCN-UHFFFAOYSA-N
XLogP3.16
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.75
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole (CID 24911472) is 2-chloro-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-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-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(Cc1cnc(Cl)s1)C2.
What is the InChIKey of 2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
The InChIKey is PXYPWXWEGOVVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4S/c13-11-18-4-8(21-11)6-20-2-1-9-7(5-20)3-17-10(19-9)12(14,15)16/h3-4H,1-2,5-6H2.
What are the key properties of 2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole?
2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole has a molecular weight of 334.75 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 24911472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).