1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol

C6H8FNOS2 — CID 131219858

IUPAC1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol
SMILESOC(CF)CSc1nccs1
InChIInChI=1S/C6H8FNOS2/c7-3-5(9)4-11-6-8-1-2-10-6/h1-2,5,9H,3-4H2
InChIKeyKOXVUDJBALZBMX-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.57
Rot. Bonds4

About 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol

1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol (PubChem CID 131219858) has the molecular formula C6H8FNOS2 and a molecular weight of 193.27 g/mol. Its IUPAC name is 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol
PubChem CID131219858
Molecular FormulaC6H8FNOS2
Molecular Weight193.27 g/mol
Exact Mass193.00
IUPAC Name1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol
SMILESOC(CF)CSc1nccs1
InChIInChI=1S/C6H8FNOS2/c7-3-5(9)4-11-6-8-1-2-10-6/h1-2,5,9H,3-4H2
InChIKeyKOXVUDJBALZBMX-UHFFFAOYSA-N
XLogP1.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-Thiazol-2-yl)ethan-1-ol
CID 10034657
1-(1,3-Thiazol-2-yl)ethan-1-ol
CID 9989295
(1S)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 10796762
(1R)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 11423603
2,2,2-Trifluoro-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 50990575
2-Thiazolemethanol, alpha-(difluoromethyl)-
CID 67431895
2,2-Difluoro-2-(1,3-thiazol-2-yl)ethan-1-ol
CID 86775222
2-(3-Fluoropropylsulfanyl)-1,3-thiazole
CID 130626663
2-(3,4,4-Trifluorobutylsulfanyl)-1,3-thiazole
CID 164854410
2-Fluoro-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 165697449
1,1,1-Trifluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol
CID 63900644
4,4,4-Trifluoro-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79823566

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol (CID 131219858) is 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol is OC(CF)CSc1nccs1.
What is the InChIKey of 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is KOXVUDJBALZBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNOS2/c7-3-5(9)4-11-6-8-1-2-10-6/h1-2,5,9H,3-4H2.
What are the key properties of 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol?
1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 193.27 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(1,3-thiazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 131219858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).