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

C10H7F3N4S — CID 114739812

IUPAC5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2cncs2)nc2c1CNC2
InChIInChI=1S/C10H7F3N4S/c11-10(12,13)8-5-1-14-2-6(5)16-9(17-8)7-3-15-4-18-7/h3-4,14H,1-2H2
InChIKeySGVLNHXDJGWRGH-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.22
Rot. Bonds1

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

5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 114739812) has the molecular formula C10H7F3N4S and a molecular weight of 272.25 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole
PubChem CID114739812
Molecular FormulaC10H7F3N4S
Molecular Weight272.25 g/mol
Exact Mass272.03
IUPAC Name5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2cncs2)nc2c1CNC2
InChIInChI=1S/C10H7F3N4S/c11-10(12,13)8-5-1-14-2-6(5)16-9(17-8)7-3-15-4-18-7/h3-4,14H,1-2H2
InChIKeySGVLNHXDJGWRGH-UHFFFAOYSA-N
XLogP2.22
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole (CID 114739812) is 5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole is FC(F)(F)c1nc(-c2cncs2)nc2c1CNC2.
What is the InChIKey of 5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is SGVLNHXDJGWRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4S/c11-10(12,13)8-5-1-14-2-6(5)16-9(17-8)7-3-15-4-18-7/h3-4,14H,1-2H2.
What are the key properties of 5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole?
5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 272.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 114739812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).