5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate

C9H11NO2S — CID 174259583

IUPAC5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate
SMILESO.OC1=CCCC(c2nccs2)=C1
InChIInChI=1S/C9H9NOS.H2O/c11-8-3-1-2-7(6-8)9-10-4-5-12-9;/h3-6,11H,1-2H2;1H2
InChIKeyLXMMCRVODDXHDU-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.94
Rot. Bonds1

About 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate

5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate (PubChem CID 174259583) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate.

Molecular Properties

Compound Name5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate
PubChem CID174259583
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate
SMILESO.OC1=CCCC(c2nccs2)=C1
InChIInChI=1S/C9H9NOS.H2O/c11-8-3-1-2-7(6-8)9-10-4-5-12-9;/h3-6,11H,1-2H2;1H2
InChIKeyLXMMCRVODDXHDU-UHFFFAOYSA-N
XLogP1.94
TPSA64.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1,3-thiazol-2-yl)cyclohepta-1,6-diene-1-sulfinic acid
CID 167206505
2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 170993017
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
azane;4-(1,3-thiazol-2-yl)phenol
CID 175575077
2-(5,6,7,8-tetrahydroquinolin-2-yl)-1,3-thiazole
CID 159575387
3-hydroxy-4-(1,3-thiazol-2-yl)pyrrole-2,5-dione
CID 135732714
2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 53406906
2-[(1R,6S)-5-(1,3-thiazol-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-dien-2-yl]-1,3-thiazole
CID 10978217
2-[3-(1,3-thiazol-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 177255972
2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 22767721
N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
CID 18525747
2-hydroxy-3-(1,3-thiazol-2-yl)-5-(trifluoromethyl)benzonitrile
CID 175304132

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate?
The IUPAC name of 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate (CID 174259583) is 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate.
What is the SMILES notation for 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate?
The canonical SMILES for 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate is O.OC1=CCCC(c2nccs2)=C1.
What is the InChIKey of 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate?
The InChIKey is LXMMCRVODDXHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS.H2O/c11-8-3-1-2-7(6-8)9-10-4-5-12-9;/h3-6,11H,1-2H2;1H2.
What are the key properties of 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate?
5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate has a molecular weight of 197.26 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-yl)cyclohexa-1,5-dien-1-ol;hydrate is sourced from PubChem (CID 174259583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).