1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone

C20H19N3OS — CID 71968022

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
SMILESO=C(Cc1ccc(NCc2cscn2)cc1)N1CCc2ccccc21
InChIInChI=1S/C20H19N3OS/c24-20(23-10-9-16-3-1-2-4-19(16)23)11-15-5-7-17(8-6-15)21-12-18-13-25-14-22-18/h1-8,13-14,21H,9-12H2
InChIKeyCEJLCZZRGQLVNA-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.89
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone (PubChem CID 71968022) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
PubChem CID71968022
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone
SMILESO=C(Cc1ccc(NCc2cscn2)cc1)N1CCc2ccccc21
InChIInChI=1S/C20H19N3OS/c24-20(23-10-9-16-3-1-2-4-19(16)23)11-15-5-7-17(8-6-15)21-12-18-13-25-14-22-18/h1-8,13-14,21H,9-12H2
InChIKeyCEJLCZZRGQLVNA-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,3-thiazol-4-yl)ethanone
CID 110462924
2,3-dihydroindol-1-yl-[6-(1,3-thiazol-4-ylmethylamino)-3-pyridinyl]methanone
CID 71876414
1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]phenyl]-3-(2-methylpropyl)urea
CID 60613753
3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]pyrazine-2-carbonitrile
CID 133284765
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
1-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 119763704
1-[6-[(1-methyltriazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone
CID 125419700
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
ethyl 4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]anilino]-2,3-dihydroxy-4-oxobutanoate
CID 167784622
1-(2,3-dihydroindol-1-yl)-2-[4-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]phenyl]ethanone
CID 167754497
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 94282565
2-(1,3-benzoxazol-6-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 110771825

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone (CID 71968022) is 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone is O=C(Cc1ccc(NCc2cscn2)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone?
The InChIKey is CEJLCZZRGQLVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c24-20(23-10-9-16-3-1-2-4-19(16)23)11-15-5-7-17(8-6-15)21-12-18-13-25-14-22-18/h1-8,13-14,21H,9-12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone has a molecular weight of 349.46 g/mol, XLogP of 3.89, 5 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-[4-(1,3-thiazol-4-ylmethylamino)phenyl]ethanone is sourced from PubChem (CID 71968022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).