2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

C16H18N2OS — CID 110651148

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCc1nc(C)c(CC(=O)N2c3ccccc3CC2C)s1
InChIInChI=1S/C16H18N2OS/c1-10-8-13-6-4-5-7-14(13)18(10)16(19)9-15-11(2)17-12(3)20-15/h4-7,10H,8-9H2,1-3H3
InChIKeyVPLLASKZJBVTRX-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.28
Rot. Bonds2

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 110651148) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
PubChem CID110651148
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
SMILESCc1nc(C)c(CC(=O)N2c3ccccc3CC2C)s1
InChIInChI=1S/C16H18N2OS/c1-10-8-13-6-4-5-7-14(13)18(10)16(19)9-15-11(2)17-12(3)20-15/h4-7,10H,8-9H2,1-3H3
InChIKeyVPLLASKZJBVTRX-UHFFFAOYSA-N
XLogP3.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 110679760
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484549
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanone
CID 110427435
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 11930373
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 51535285
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 42979604
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone (CID 110651148) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is Cc1nc(C)c(CC(=O)N2c3ccccc3CC2C)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is VPLLASKZJBVTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10-8-13-6-4-5-7-14(13)18(10)16(19)9-15-11(2)17-12(3)20-15/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 286.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 110651148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).