1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol

C7H8F3NOS2 — CID 102562642

IUPAC1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol
SMILESOC(CSCc1nccs1)C(F)(F)F
InChIInChI=1S/C7H8F3NOS2/c8-7(9,10)5(12)3-13-4-6-11-1-2-14-6/h1-2,5,12H,3-4H2
InChIKeyKUUJTHCEUAPSOQ-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.30
Rot. Bonds4

About 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol

1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol (PubChem CID 102562642) has the molecular formula C7H8F3NOS2 and a molecular weight of 243.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol
PubChem CID102562642
Molecular FormulaC7H8F3NOS2
Molecular Weight243.28 g/mol
Exact Mass243.00
IUPAC Name1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol
SMILESOC(CSCc1nccs1)C(F)(F)F
InChIInChI=1S/C7H8F3NOS2/c8-7(9,10)5(12)3-13-4-6-11-1-2-14-6/h1-2,5,12H,3-4H2
InChIKeyKUUJTHCEUAPSOQ-UHFFFAOYSA-N
XLogP2.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol (CID 102562642) is 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol is OC(CSCc1nccs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol?
The InChIKey is KUUJTHCEUAPSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NOS2/c8-7(9,10)5(12)3-13-4-6-11-1-2-14-6/h1-2,5,12H,3-4H2.
What are the key properties of 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol?
1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol has a molecular weight of 243.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,3-thiazol-2-ylmethylsulfanyl)propan-2-ol is sourced from PubChem (CID 102562642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).