2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate

C10H21NO2S — CID 174635774

IUPAC2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate
SMILESCCCCN1CSC(CCO)=C1C.O
InChIInChI=1S/C10H19NOS.H2O/c1-3-4-6-11-8-13-10(5-7-12)9(11)2;/h12H,3-8H2,1-2H3;1H2
InChIKeySLSUYCVFQBWAQZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.58
Rot. Bonds5

About 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate

2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate (PubChem CID 174635774) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate.

Molecular Properties

Compound Name2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate
PubChem CID174635774
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate
SMILESCCCCN1CSC(CCO)=C1C.O
InChIInChI=1S/C10H19NOS.H2O/c1-3-4-6-11-8-13-10(5-7-12)9(11)2;/h12H,3-8H2,1-2H3;1H2
InChIKeySLSUYCVFQBWAQZ-UHFFFAOYSA-N
XLogP1.58
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide
CID 175437358
2-(3-decyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide
CID 173400274
2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide
CID 174621034
3-hexyl-5-(2-hydroxyethyl)-1,3,5-thiadiazinane-2-thione
CID 24886196
1-butyl-3-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 21270270
3-butyl-5-methyl-2H-1,3-thiazole
CID 67403443
1-butyl-3,4,5-trimethyl-2H-imidazole;1-ethyl-3,4,5-trimethyl-2H-imidazole
CID 175563212
2-(1-butyl-5-methyltriazol-4-yl)ethanol
CID 82205579
2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol
CID 101268148
5-butyl-3-ethyl-2-imino-1,3,5-thiadiazinan-4-one
CID 170909364
1,3-dibutylimidazolidin-2-one
CID 20887
1,4-dibutylpiperazine-2,5-dione
CID 19902955

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate?
The IUPAC name of 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate (CID 174635774) is 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate.
What is the SMILES notation for 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate?
The canonical SMILES for 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate is CCCCN1CSC(CCO)=C1C.O.
What is the InChIKey of 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate?
The InChIKey is SLSUYCVFQBWAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS.H2O/c1-3-4-6-11-8-13-10(5-7-12)9(11)2;/h12H,3-8H2,1-2H3;1H2.
What are the key properties of 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate?
2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate has a molecular weight of 219.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate is sourced from PubChem (CID 174635774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).