1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol

C14H15NO2S — CID 65404041

IUPAC1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2COc3ccccc3C2)n1
InChIInChI=1S/C14H15NO2S/c1-9(16)12-8-18-14(15-12)11-6-10-4-2-3-5-13(10)17-7-11/h2-5,8-9,11,16H,6-7H2,1H3
InChIKeyFKBJSDAKHGVOBB-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.92
Rot. Bonds2

About 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol

1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol (PubChem CID 65404041) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol
PubChem CID65404041
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol
SMILESCC(O)c1csc(C2COc3ccccc3C2)n1
InChIInChI=1S/C14H15NO2S/c1-9(16)12-8-18-14(15-12)11-6-10-4-2-3-5-13(10)17-7-11/h2-5,8-9,11,16H,6-7H2,1H3
InChIKeyFKBJSDAKHGVOBB-UHFFFAOYSA-N
XLogP2.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanone
CID 65404995
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazole-5-carboxylic acid
CID 65408477
2-(3,4-dihydro-2H-chromen-3-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 65406177
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251
[(3S)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95778814
1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65412686
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 15536179
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanol
CID 65328718
N-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 65412889
2-(3,4-dihydro-2H-chromen-3-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477946

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol (CID 65404041) is 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol is CC(O)c1csc(C2COc3ccccc3C2)n1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol?
The InChIKey is FKBJSDAKHGVOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9(16)12-8-18-14(15-12)11-6-10-4-2-3-5-13(10)17-7-11/h2-5,8-9,11,16H,6-7H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol?
1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol has a molecular weight of 261.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-chromen-3-yl)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 65404041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).