1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol

C10H9F3N2OS2 — CID 2738642

IUPAC1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol
SMILESCc1csc2c(SCC(O)C(F)(F)F)ncnc12
InChIInChI=1S/C10H9F3N2OS2/c1-5-2-17-8-7(5)14-4-15-9(8)18-3-6(16)10(11,12)13/h2,4,6,16H,3H2,1H3
InChIKeyPDZSQACRORQTHG-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.02
Rot. Bonds3

About 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol

1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol (PubChem CID 2738642) has the molecular formula C10H9F3N2OS2 and a molecular weight of 294.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol
PubChem CID2738642
Molecular FormulaC10H9F3N2OS2
Molecular Weight294.32 g/mol
Exact Mass294.01
IUPAC Name1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol
SMILESCc1csc2c(SCC(O)C(F)(F)F)ncnc12
InChIInChI=1S/C10H9F3N2OS2/c1-5-2-17-8-7(5)14-4-15-9(8)18-3-6(16)10(11,12)13/h2,4,6,16H,3H2,1H3
InChIKeyPDZSQACRORQTHG-UHFFFAOYSA-N
XLogP3.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol (CID 2738642) is 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol is Cc1csc2c(SCC(O)C(F)(F)F)ncnc12.
What is the InChIKey of 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol?
The InChIKey is PDZSQACRORQTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2OS2/c1-5-2-17-8-7(5)14-4-15-9(8)18-3-6(16)10(11,12)13/h2,4,6,16H,3H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol?
1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol has a molecular weight of 294.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(7-methylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-2-ol is sourced from PubChem (CID 2738642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).