ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate

C12H17NO2S — CID 142101108

IUPACethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
SMILESCC.O.OC(c1ccccc1)c1nccs1
InChIInChI=1S/C10H9NOS.C2H6.H2O/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8;1-2;/h1-7,9,12H;1-2H3;1H2
InChIKeyLZQSUQWRHCGNDR-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.43
Rot. Bonds2

About ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate

ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate (PubChem CID 142101108) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate.

Molecular Properties

Compound Nameethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
PubChem CID142101108
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Nameethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
SMILESCC.O.OC(c1ccccc1)c1nccs1
InChIInChI=1S/C10H9NOS.C2H6.H2O/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8;1-2;/h1-7,9,12H;1-2H3;1H2
InChIKeyLZQSUQWRHCGNDR-UHFFFAOYSA-N
XLogP2.43
TPSA64.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
CID 115006319
(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol
CID 107128181
(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 112742116
(2-propoxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 104658962
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
(3-cyclobutylphenyl)-(1,3-thiazol-2-yl)methanol
CID 114601615
(4-cyclopropyloxyphenyl)-(1,3-thiazol-2-yl)methanol
CID 114518732
(3-amino-4-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 118355623
(1S,2S)-2-(benzylamino)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 10543000
(3-bromo-2-fluorophenyl)-(1,3-thiazol-2-yl)methanol
CID 86730392
2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole
CID 90941742

Frequently Asked Questions

What is the IUPAC name of ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate?
The IUPAC name of ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate (CID 142101108) is ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate.
What is the SMILES notation for ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate?
The canonical SMILES for ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate is CC.O.OC(c1ccccc1)c1nccs1.
What is the InChIKey of ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate?
The InChIKey is LZQSUQWRHCGNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS.C2H6.H2O/c12-9(10-11-6-7-13-10)8-4-2-1-3-5-8;1-2;/h1-7,9,12H;1-2H3;1H2.
What are the key properties of ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate?
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate has a molecular weight of 239.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate is sourced from PubChem (CID 142101108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).