N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H17N3O2S — CID 35805869

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)Cc3csc(C)n3)ccc21
InChIInChI=1S/C16H17N3O2S/c1-10-17-14(9-22-10)8-16(21)18-13-3-4-15-12(7-13)5-6-19(15)11(2)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,21)
InChIKeyBDETYUYGXOTGFG-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.54
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 35805869) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID35805869
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)Cc3csc(C)n3)ccc21
InChIInChI=1S/C16H17N3O2S/c1-10-17-14(9-22-10)8-16(21)18-13-3-4-15-12(7-13)5-6-19(15)11(2)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,21)
InChIKeyBDETYUYGXOTGFG-UHFFFAOYSA-N
XLogP2.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63679851
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CID 17493832
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methylphenyl)urea
CID 17485020
N-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110483632
2-(5-methyl-1,2-oxazol-3-yl)-N-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]acetamide
CID 110609553
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 35805869) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is CC(=O)N1CCc2cc(NC(=O)Cc3csc(C)n3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BDETYUYGXOTGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-17-14(9-22-10)8-16(21)18-13-3-4-15-12(7-13)5-6-19(15)11(2)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,18,21).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 35805869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).