1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone

C13H12N2OS — CID 116611918

IUPAC1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1ccc2c(c1)NCC2
InChIInChI=1S/C13H12N2OS/c16-12(8-13-15-5-6-17-13)10-2-1-9-3-4-14-11(9)7-10/h1-2,5-7,14H,3-4,8H2
InChIKeyHXPQVZHNWXOBNR-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.54
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone

1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 116611918) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID116611918
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nccs1)c1ccc2c(c1)NCC2
InChIInChI=1S/C13H12N2OS/c16-12(8-13-15-5-6-17-13)10-2-1-9-3-4-14-11(9)7-10/h1-2,5-7,14H,3-4,8H2
InChIKeyHXPQVZHNWXOBNR-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-indol-6-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116612096
2-(3,5-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 105412085
2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 103052472
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116612097
1-(2,3-dihydro-1H-indol-6-yl)-4,4,4-trifluorobutan-1-one
CID 116612061
2-(2-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 116611894
1-(2,3-dihydro-1H-indol-6-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116611973
1-(2,3-dihydro-1H-indol-6-yl)-5,5,5-trifluoropentan-1-one
CID 116612013
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
2-(3-bromo-2,6-difluorophenyl)-1-(2,3-dihydro-1H-indol-6-yl)ethanone
CID 106272804
1-(2,3-dihydro-1H-indol-6-yl)-5-methylhexan-1-one
CID 116611981
(3,4-difluorophenyl)-(2,3-dihydro-1H-indol-6-yl)methanone
CID 116611865

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone (CID 116611918) is 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone is O=C(Cc1nccs1)c1ccc2c(c1)NCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is HXPQVZHNWXOBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-12(8-13-15-5-6-17-13)10-2-1-9-3-4-14-11(9)7-10/h1-2,5-7,14H,3-4,8H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone?
1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 244.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-6-yl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116611918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).