5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole

C11H9F3N4S — CID 114741977

IUPAC5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2cncs2)nc2c1CCNC2
InChIInChI=1S/C11H9F3N4S/c12-11(13,14)9-6-1-2-15-3-7(6)17-10(18-9)8-4-16-5-19-8/h4-5,15H,1-3H2
InChIKeyPDZXZEOITVWDPX-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.26
Rot. Bonds1

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

5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 114741977) has the molecular formula C11H9F3N4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID114741977
Molecular FormulaC11H9F3N4S
Molecular Weight286.28 g/mol
Exact Mass286.05
IUPAC Name5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2cncs2)nc2c1CCNC2
InChIInChI=1S/C11H9F3N4S/c12-11(13,14)9-6-1-2-15-3-7(6)17-10(18-9)8-4-16-5-19-8/h4-5,15H,1-3H2
InChIKeyPDZXZEOITVWDPX-UHFFFAOYSA-N
XLogP2.26
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole (CID 114741977) is 5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole is FC(F)(F)c1nc(-c2cncs2)nc2c1CCNC2.
What is the InChIKey of 5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is PDZXZEOITVWDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4S/c12-11(13,14)9-6-1-2-15-3-7(6)17-10(18-9)8-4-16-5-19-8/h4-5,15H,1-3H2.
What are the key properties of 5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole?
5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 286.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 114741977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).