N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide

C20H19N3O2S — CID 30494500

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCc3nc4ccccc4s3)ccc21
InChIInChI=1S/C20H19N3O2S/c1-13(24)23-11-10-14-12-15(6-7-17(14)23)21-19(25)8-9-20-22-16-4-2-3-5-18(16)26-20/h2-7,12H,8-11H2,1H3,(H,21,25)
InChIKeyVEMZXHCQJGZFJO-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.78
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide (PubChem CID 30494500) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide
PubChem CID30494500
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide
SMILESCC(=O)N1CCc2cc(NC(=O)CCc3nc4ccccc4s3)ccc21
InChIInChI=1S/C20H19N3O2S/c1-13(24)23-11-10-14-12-15(6-7-17(14)23)21-19(25)8-9-20-22-16-4-2-3-5-18(16)26-20/h2-7,12H,8-11H2,1H3,(H,21,25)
InChIKeyVEMZXHCQJGZFJO-UHFFFAOYSA-N
XLogP3.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1,3-benzothiazol-2-yl)-N-[4-(dimethylamino)phenyl]propanamide
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3-(1,3-benzothiazol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 24641041
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N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26063123
3-(1,3-benzothiazol-2-yl)-N-[3-(1,3-dithiolan-2-yl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide (CID 30494500) is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide is CC(=O)N1CCc2cc(NC(=O)CCc3nc4ccccc4s3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide?
The InChIKey is VEMZXHCQJGZFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-13(24)23-11-10-14-12-15(6-7-17(14)23)21-19(25)8-9-20-22-16-4-2-3-5-18(16)26-20/h2-7,12H,8-11H2,1H3,(H,21,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide has a molecular weight of 365.46 g/mol, XLogP of 3.78, 4 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)-3-(1,3-benzothiazol-2-yl)propanamide is sourced from PubChem (CID 30494500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).