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

C16H17N3O3S — CID 17493832

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)Cn3c(C)csc3=O)ccc21
InChIInChI=1S/C16H17N3O3S/c1-10-9-23-16(22)19(10)8-15(21)17-13-3-4-14-12(7-13)5-6-18(14)11(2)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,21)
InChIKeyOZJFRMBHFBKUPQ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.77
Rot. Bonds3

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

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 17493832) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID17493832
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCC(=O)N1CCc2cc(NC(=O)Cn3c(C)csc3=O)ccc21
InChIInChI=1S/C16H17N3O3S/c1-10-9-23-16(22)19(10)8-15(21)17-13-3-4-14-12(7-13)5-6-18(14)11(2)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,21)
InChIKeyOZJFRMBHFBKUPQ-UHFFFAOYSA-N
XLogP1.77
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 17493832) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CC(=O)N1CCc2cc(NC(=O)Cn3c(C)csc3=O)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is OZJFRMBHFBKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-10-9-23-16(22)19(10)8-15(21)17-13-3-4-14-12(7-13)5-6-18(14)11(2)20/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,21).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 17493832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).