4-(1,2-thiazol-3-yl)oxepan-4-ol

C9H13NO2S — CID 130977722

IUPAC4-(1,2-thiazol-3-yl)oxepan-4-ol
SMILESOC1(c2ccsn2)CCCOCC1
InChIInChI=1S/C9H13NO2S/c11-9(8-2-7-13-10-8)3-1-5-12-6-4-9/h2,7,11H,1,3-6H2
InChIKeyALYFSOWEDWCYGD-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.53
Rot. Bonds1

About 4-(1,2-thiazol-3-yl)oxepan-4-ol

4-(1,2-thiazol-3-yl)oxepan-4-ol (PubChem CID 130977722) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-(1,2-thiazol-3-yl)oxepan-4-ol.

Molecular Properties

Compound Name4-(1,2-thiazol-3-yl)oxepan-4-ol
PubChem CID130977722
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name4-(1,2-thiazol-3-yl)oxepan-4-ol
SMILESOC1(c2ccsn2)CCCOCC1
InChIInChI=1S/C9H13NO2S/c11-9(8-2-7-13-10-8)3-1-5-12-6-4-9/h2,7,11H,1,3-6H2
InChIKeyALYFSOWEDWCYGD-UHFFFAOYSA-N
XLogP1.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[Hydroxy(1,2-thiazol-3-yl)methyl]cyclohexan-1-ol
CID 126985714
1-(Oxolan-3-yl)-1-(1,2-thiazol-3-yl)propan-1-ol
CID 126985740
6-(1,2-Thiazol-3-yl)-1,4-dioxepan-6-ol
CID 126985767
2,6-Dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130620480
2-(1,2-Thiazol-3-yl)pentan-2-ol
CID 130634722
1-(1,2-Thiazol-3-yl)cyclohex-2-en-1-ol
CID 130649840
2,2-Dimethyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130702883
(2-Methyloxolan-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130715054
2-Methyl-3-(1,2-thiazol-3-yl)oxolan-3-ol
CID 130735017
Oxolan-3-yl(1,2-thiazol-3-yl)methanol
CID 130854896
3-Methyl-4-(1,2-thiazol-3-yl)oxan-4-ol
CID 130925801
7-Oxabicyclo[2.2.1]heptan-2-yl(1,2-thiazol-3-yl)methanol
CID 130927979

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-thiazol-3-yl)oxepan-4-ol?
The IUPAC name of 4-(1,2-thiazol-3-yl)oxepan-4-ol (CID 130977722) is 4-(1,2-thiazol-3-yl)oxepan-4-ol.
What is the SMILES notation for 4-(1,2-thiazol-3-yl)oxepan-4-ol?
The canonical SMILES for 4-(1,2-thiazol-3-yl)oxepan-4-ol is OC1(c2ccsn2)CCCOCC1.
What is the InChIKey of 4-(1,2-thiazol-3-yl)oxepan-4-ol?
The InChIKey is ALYFSOWEDWCYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c11-9(8-2-7-13-10-8)3-1-5-12-6-4-9/h2,7,11H,1,3-6H2.
What are the key properties of 4-(1,2-thiazol-3-yl)oxepan-4-ol?
4-(1,2-thiazol-3-yl)oxepan-4-ol has a molecular weight of 199.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-thiazol-3-yl)oxepan-4-ol is sourced from PubChem (CID 130977722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).