2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol

C8H13NOS — CID 101268148

IUPAC2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol
SMILESCCN1C#SC(CCO)=C1C
InChIInChI=1S/C8H13NOS/c1-3-9-6-11-8(4-5-10)7(9)2/h10H,3-5H2,1-2H3
InChIKeyZXFLZKVPGHPOPF-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.59
Rot. Bonds3

About 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol

2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol (PubChem CID 101268148) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol
PubChem CID101268148
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol
SMILESCCN1C#SC(CCO)=C1C
InChIInChI=1S/C8H13NOS/c1-3-9-6-11-8(4-5-10)7(9)2/h10H,3-5H2,1-2H3
InChIKeyZXFLZKVPGHPOPF-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydroiodide
CID 175437358
2-(4-methyl-3-prop-2-enyl-2H-1,3-thiazol-5-yl)ethanol;hydrobromide
CID 174621034
2-(3-butyl-4-methyl-2H-1,3-thiazol-5-yl)ethanol;hydrate
CID 174635774
2-[(2Z)-3-ethyl-2-[hydroxy(phenyl)methylidene]-4-methyl-1,3-thiazol-5-yl]ethanol
CID 162405755
2-(5-chloro-1-ethylindol-2-yl)ethanol
CID 117121550
2-(1-ethyl-2-methylindol-6-yl)ethanol
CID 117204795
2-(2-bromo-3-ethylimidazol-4-yl)ethanol
CID 117259977
2-(1-ethyl-2-methylbenzimidazol-5-yl)ethanol
CID 82491893
2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol
CID 87970242
5,6,11,12,17,18,23,24,29,30-decabutyl-31,32,33,34,35-pentathiahexacyclo[26.2.1.14,7.110,13.116,19.122,25]pentatriaconta-1,2,3,5,7,8,9,11,13,14,15,17,19,20,21,23,25,26,27,29-icosaene
CID 102372768
2-(3-benzyl-4-methyl-2,3-dihydro-1,3-thiazol-3-ium-5-yl)ethanol chloride
CID 151722014
2-[2-amino-2,4-dimethyl-3-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazol-5-yl]ethanol;dihydrochloride
CID 173206156

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol (CID 101268148) is 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol is CCN1C#SC(CCO)=C1C.
What is the InChIKey of 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol?
The InChIKey is ZXFLZKVPGHPOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-9-6-11-8(4-5-10)7(9)2/h10H,3-5H2,1-2H3.
What are the key properties of 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol?
2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol has a molecular weight of 171.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methyl-1,2-didehydro-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 101268148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).