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

C14H15N3OS — CID 3000164

IUPAC1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\scc(C)n1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H15N3OS/c1-10-9-19-14(15)17(10)8-13(18)16-7-6-11-4-2-3-5-12(11)16/h2-5,9,15H,6-8H2,1H3/b15-14-
InChIKeyQZYGBEBLMHIZKX-PFONDFGASA-N
MW273.36 g/mol
LogP1.93
Rot. Bonds2

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

1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone (PubChem CID 3000164) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone
PubChem CID3000164
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\scc(C)n1CC(=O)N1CCc2ccccc21
InChIInChI=1S/C14H15N3OS/c1-10-9-19-14(15)17(10)8-13(18)16-7-6-11-4-2-3-5-12(11)16/h2-5,9,15H,6-8H2,1H3/b15-14-
InChIKeyQZYGBEBLMHIZKX-PFONDFGASA-N
XLogP1.93
TPSA49.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

2-((4,5-Dihydrothiazol-2-yl)thio)-1-(indolin-1-yl)ethanone
CID 975894
7-(2,3-Dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2997591
2-(2-Imino-4-phenyl-1,3-thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 73354066
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135504839
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 2413171
3-(2,3-Dimethylphenyl)-2-imino-1,3-thiazolidin-4-one
CID 613215
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 3184603
2-(2-imino-1,3-thiazol-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide;hydrochloride
CID 16196963
2-(N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methylanilino)-1,3-thiazol-4-one
CID 2095664
7-[(2-Methyl-2,3-dihydroindol-1-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2998666
N-(2-benzylphenyl)-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
CID 6602891
2-(2-imino-1,3-thiazol-3-yl)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 6602892

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone (CID 3000164) is 1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone is [H]/N=c1\scc(C)n1CC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone?
The InChIKey is QZYGBEBLMHIZKX-PFONDFGASA-N. The full InChI is InChI=1S/C14H15N3OS/c1-10-9-19-14(15)17(10)8-13(18)16-7-6-11-4-2-3-5-12(11)16/h2-5,9,15H,6-8H2,1H3/b15-14-.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone has a molecular weight of 273.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(2-imino-4-methyl-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 3000164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).