N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide

C21H20N4O2S — CID 110627251

IUPACN-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(=O)N1CCc2ccc(NC(=O)CCc3csc(-c4ccccn4)n3)cc21
InChIInChI=1S/C21H20N4O2S/c1-14(26)25-11-9-15-5-6-16(12-19(15)25)23-20(27)8-7-17-13-28-21(24-17)18-4-2-3-10-22-18/h2-6,10,12-13H,7-9,11H2,1H3,(H,23,27)
InChIKeyNBXLXCNVQWQYEW-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.69
Rot. Bonds5

About N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide

N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110627251) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110627251
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCC(=O)N1CCc2ccc(NC(=O)CCc3csc(-c4ccccn4)n3)cc21
InChIInChI=1S/C21H20N4O2S/c1-14(26)25-11-9-15-5-6-16(12-19(15)25)23-20(27)8-7-17-13-28-21(24-17)18-4-2-3-10-22-18/h2-6,10,12-13H,7-9,11H2,1H3,(H,23,27)
InChIKeyNBXLXCNVQWQYEW-UHFFFAOYSA-N
XLogP3.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110329830
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CID 110329818
N-(2,6-dimethylphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110418418
1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973655
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
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N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide
CID 22690130
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide
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3-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423290
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 38749299
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (CID 110627251) is N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is CC(=O)N1CCc2ccc(NC(=O)CCc3csc(-c4ccccn4)n3)cc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is NBXLXCNVQWQYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14(26)25-11-9-15-5-6-16(12-19(15)25)23-20(27)8-7-17-13-28-21(24-17)18-4-2-3-10-22-18/h2-6,10,12-13H,7-9,11H2,1H3,(H,23,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 392.48 g/mol, XLogP of 3.69, 5 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-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110627251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).