3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide

C19H19N3O2S — CID 56762950

IUPAC3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
SMILESCC(=O)c1cn(CCC(=O)Nc2nc3c(s2)CCC3)c2ccccc12
InChIInChI=1S/C19H19N3O2S/c1-12(23)14-11-22(16-7-3-2-5-13(14)16)10-9-18(24)21-19-20-15-6-4-8-17(15)25-19/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,20,21,24)
InChIKeyGZQJNSZYOBPJHW-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.82
Rot. Bonds5

About 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide

3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide (PubChem CID 56762950) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
PubChem CID56762950
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide
SMILESCC(=O)c1cn(CCC(=O)Nc2nc3c(s2)CCC3)c2ccccc12
InChIInChI=1S/C19H19N3O2S/c1-12(23)14-11-22(16-7-3-2-5-13(14)16)10-9-18(24)21-19-20-15-6-4-8-17(15)25-19/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,20,21,24)
InChIKeyGZQJNSZYOBPJHW-UHFFFAOYSA-N
XLogP3.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 33040669
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CID 24604003
3-(benzotriazol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 863094
3-(3-acetylindol-1-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 56762237
2-(4-acetamidoindol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 71828066
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(2-hydroxyphenyl)propanamide
CID 33039912
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pentanamide
CID 33039661
2-phenylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2931402
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-3-(4-methylpyrazol-1-yl)propanamide
CID 86832668
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 2942858
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-hydroxypentanamide
CID 79192385
3-amino-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 82034009

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide (CID 56762950) is 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide is CC(=O)c1cn(CCC(=O)Nc2nc3c(s2)CCC3)c2ccccc12.
What is the InChIKey of 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide?
The InChIKey is GZQJNSZYOBPJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12(23)14-11-22(16-7-3-2-5-13(14)16)10-9-18(24)21-19-20-15-6-4-8-17(15)25-19/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,20,21,24).
What are the key properties of 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide?
3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylindol-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 56762950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).