1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide

C18H16N4O3S2 — CID 86973655

IUPAC1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1csc(-c3ccccn3)n1)CC2
InChIInChI=1S/C18H16N4O3S2/c19-27(24,25)14-5-4-12-6-8-22(16(12)10-14)17(23)9-13-11-26-18(21-13)15-3-1-2-7-20-15/h1-5,7,10-11H,6,8-9H2,(H2,19,24,25)
InChIKeyHOBGZBCZBATFHP-UHFFFAOYSA-N
MW400.49 g/mol
LogP1.98
Rot. Bonds4

About 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide

1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide (PubChem CID 86973655) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
PubChem CID86973655
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1csc(-c3ccccn3)n1)CC2
InChIInChI=1S/C18H16N4O3S2/c19-27(24,25)14-5-4-12-6-8-22(16(12)10-14)17(23)9-13-11-26-18(21-13)15-3-1-2-7-20-15/h1-5,7,10-11H,6,8-9H2,(H2,19,24,25)
InChIKeyHOBGZBCZBATFHP-UHFFFAOYSA-N
XLogP1.98
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide with MolForge

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627251
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 86973582
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 38749299
1-[5-(1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carbonyl]-2,3-dihydroindole-6-sulfonamide
CID 170393488
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 94282565
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 31794170
2-(2-amino-1,3-thiazol-4-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495292
1-(5-pyrimidin-2-yl-2,3-dihydro-1H-indene-2-carbonyl)-2,3-dihydroindole-6-sulfonamide
CID 174219961
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 37159430
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 51269760
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 27049046

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide (CID 86973655) is 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)N(C(=O)Cc1csc(-c3ccccn3)n1)CC2.
What is the InChIKey of 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is HOBGZBCZBATFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c19-27(24,25)14-5-4-12-6-8-22(16(12)10-14)17(23)9-13-11-26-18(21-13)15-3-1-2-7-20-15/h1-5,7,10-11H,6,8-9H2,(H2,19,24,25).
What are the key properties of 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide?
1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 400.49 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86973655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).