1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one

C14H14N2OS — CID 110388352

IUPAC1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2ccccc21
InChIInChI=1S/C14H14N2OS/c17-14(6-5-13-15-8-10-18-13)16-9-7-11-3-1-2-4-12(11)16/h1-4,8,10H,5-7,9H2
InChIKeyCANMAHQHWYZDRK-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.66
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one

1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 110388352) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID110388352
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCc2ccccc21
InChIInChI=1S/C14H14N2OS/c17-14(6-5-13-15-8-10-18-13)16-9-7-11-3-1-2-4-12(11)16/h1-4,8,10H,5-7,9H2
InChIKeyCANMAHQHWYZDRK-UHFFFAOYSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one
CID 110389221
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
3-(2-amino-1,3-thiazol-4-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110330168
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649672
N'-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111811028
1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-(1,3-thiazol-2-yl)benzamide
CID 2525969
1-(2,3-dihydroindol-1-yl)undecan-1-one
CID 4052782
1-(2,3-dihydroindol-1-yl)nonan-1-one
CID 3742272

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one (CID 110388352) is 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is CANMAHQHWYZDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c17-14(6-5-13-15-8-10-18-13)16-9-7-11-3-1-2-4-12(11)16/h1-4,8,10H,5-7,9H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 258.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 110388352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).