1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol

C6H6F3NOS — CID 112642523

IUPAC1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(Cc1cncs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)5(11)1-4-2-10-3-12-4/h2-3,5,11H,1H2
InChIKeyNOMYHQCPUVNQFD-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.61
Rot. Bonds2

About 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol

1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol (PubChem CID 112642523) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol
PubChem CID112642523
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol
SMILESOC(Cc1cncs1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)5(11)1-4-2-10-3-12-4/h2-3,5,11H,1H2
InChIKeyNOMYHQCPUVNQFD-UHFFFAOYSA-N
XLogP1.61
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol (CID 112642523) is 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol is OC(Cc1cncs1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is NOMYHQCPUVNQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NOS/c7-6(8,9)5(11)1-4-2-10-3-12-4/h2-3,5,11H,1H2.
What are the key properties of 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol?
1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 197.18 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 112642523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).