1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

C16H16F3N3OS — CID 135096162

IUPAC1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFC(F)(F)c1ccnc(N2CCC3(CC2)OCCc2ccsc23)n1
InChIInChI=1S/C16H16F3N3OS/c17-16(18,19)12-1-6-20-14(21-12)22-7-4-15(5-8-22)13-11(2-9-23-15)3-10-24-13/h1,3,6,10H,2,4-5,7-9H2
InChIKeySXZPIGYPZNOXLK-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.63
Rot. Bonds1

About 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (PubChem CID 135096162) has the molecular formula C16H16F3N3OS and a molecular weight of 355.39 g/mol. Its IUPAC name is 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].

Molecular Properties

Compound Name1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
PubChem CID135096162
Molecular FormulaC16H16F3N3OS
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
SMILESFC(F)(F)c1ccnc(N2CCC3(CC2)OCCc2ccsc23)n1
InChIInChI=1S/C16H16F3N3OS/c17-16(18,19)12-1-6-20-14(21-12)22-7-4-15(5-8-22)13-11(2-9-23-15)3-10-24-13/h1,3,6,10H,2,4-5,7-9H2
InChIKeySXZPIGYPZNOXLK-UHFFFAOYSA-N
XLogP3.63
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The IUPAC name of 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] (CID 135096162) is 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine].
What is the SMILES notation for 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The canonical SMILES for 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is FC(F)(F)c1ccnc(N2CCC3(CC2)OCCc2ccsc23)n1.
What is the InChIKey of 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
The InChIKey is SXZPIGYPZNOXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3OS/c17-16(18,19)12-1-6-20-14(21-12)22-7-4-15(5-8-22)13-11(2-9-23-15)3-10-24-13/h1,3,6,10H,2,4-5,7-9H2.
What are the key properties of 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]?
1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] has a molecular weight of 355.39 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(trifluoromethyl)pyrimidin-2-yl]spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine] is sourced from PubChem (CID 135096162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).