2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone

C15H17N3OS — CID 913212

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CNC3=NCCS3)c(C)[nH]c2c1
InChIInChI=1S/C15H17N3OS/c1-9-3-4-11-12(7-9)18-10(2)14(11)13(19)8-17-15-16-5-6-20-15/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyQMSGPMOWFWPUKY-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.66
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone

2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone (PubChem CID 913212) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
PubChem CID913212
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
SMILESCc1ccc2c(C(=O)CNC3=NCCS3)c(C)[nH]c2c1
InChIInChI=1S/C15H17N3OS/c1-9-3-4-11-12(7-9)18-10(2)14(11)13(19)8-17-15-16-5-6-20-15/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyQMSGPMOWFWPUKY-UHFFFAOYSA-N
XLogP2.66
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 660035
1-(2,6-dimethyl-1H-indol-3-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 3847989
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 919704
2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-methylpiperazine-1-carbodithioate
CID 757696
1-(2,6-dimethyl-1H-indol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
CID 5159585
2-(2-ethyl-1-piperidinyl)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 659344
1-(2-methyl-1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 659422
1-(2,6-dimethyl-1H-indol-3-yl)-2-(thiomorpholin-4-yl)ethanone
CID 660199
1-(2,6-dimethyl-1H-indol-3-yl)-2-(phenylsulfanyl)ethanone
CID 744311
1-(1H-Indol-3-yl)-2-thiomorpholin-4-yl-ethanone
CID 913332
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 2477838
1-(2-methyl-1H-indol-3-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 2551059

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone (CID 913212) is 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone is Cc1ccc2c(C(=O)CNC3=NCCS3)c(C)[nH]c2c1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
The InChIKey is QMSGPMOWFWPUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9-3-4-11-12(7-9)18-10(2)14(11)13(19)8-17-15-16-5-6-20-15/h3-4,7,18H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone has a molecular weight of 287.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 913212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).