1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol

C13H14N2OS — CID 62752443

IUPAC1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCc3ccccc32)s1
InChIInChI=1S/C13H14N2OS/c1-9(16)12-8-14-13(17-12)15-7-6-10-4-2-3-5-11(10)15/h2-5,8-9,16H,6-7H2,1H3
InChIKeyITPABLOOXYBXEY-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.89
Rot. Bonds2

About 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol

1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol (PubChem CID 62752443) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol
PubChem CID62752443
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N2CCc3ccccc32)s1
InChIInChI=1S/C13H14N2OS/c1-9(16)12-8-14-13(17-12)15-7-6-10-4-2-3-5-11(10)15/h2-5,8-9,16H,6-7H2,1H3
InChIKeyITPABLOOXYBXEY-UHFFFAOYSA-N
XLogP2.89
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]ethanol
CID 63777540
1-[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545847
(1S)-1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-ol
CID 103959688
1-[4-(2,3-dihydroindol-1-yl)-3-fluorophenyl]ethanol
CID 43506012
4-chloro-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80688286
(1R)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 55182824
(S)-[6-(2,3-dihydroindol-1-yl)-5-methyl-3-pyridinyl]-phenylmethanol
CID 124501657
1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 63153522
1-[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]ethanol
CID 104692502
1-[2-(2,3-dihydroindol-1-yl)phenyl]propan-1-one
CID 86070231
methyl 5-acetyl-2-(2,3-dihydroindol-1-yl)-1,3-thiazole-4-carboxylate
CID 106696904
2-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]ethanol
CID 102546944

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol (CID 62752443) is 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N2CCc3ccccc32)s1.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol?
The InChIKey is ITPABLOOXYBXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9(16)12-8-14-13(17-12)15-7-6-10-4-2-3-5-11(10)15/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol?
1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol has a molecular weight of 246.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 62752443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).