N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide

C18H20N4O3S2 — CID 90532385

IUPACN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2C1
InChIInChI=1S/C18H20N4O3S2/c1-2-27(24,25)22-8-7-15-16(11-22)26-18(20-15)21-17(23)9-12-10-19-14-6-4-3-5-13(12)14/h3-6,10,19H,2,7-9,11H2,1H3,(H,20,21,23)
InChIKeyDXPAMCLDEOZNJK-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.51
Rot. Bonds5

About N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide

N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide (PubChem CID 90532385) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide
PubChem CID90532385
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC NameN-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide
SMILESCCS(=O)(=O)N1CCc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2C1
InChIInChI=1S/C18H20N4O3S2/c1-2-27(24,25)22-8-7-15-16(11-22)26-18(20-15)21-17(23)9-12-10-19-14-6-4-3-5-13(12)14/h3-6,10,19H,2,7-9,11H2,1H3,(H,20,21,23)
InChIKeyDXPAMCLDEOZNJK-UHFFFAOYSA-N
XLogP2.51
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(4-methoxyphenyl)acetamide
CID 90532486
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(1H-indol-3-yl)butanamide
CID 46525596
2-phenyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532758
3-(benzenesulfonyl)-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 90532543
2-bromo-N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 90532446
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31902099
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 90532370
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(trifluoromethyl)benzamide
CID 90532456
1-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-[(4-methoxyphenyl)methyl]urea
CID 90532599
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide
CID 90532343
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90532526
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 90532392

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide (CID 90532385) is N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide is CCS(=O)(=O)N1CCc2nc(NC(=O)Cc3c[nH]c4ccccc34)sc2C1.
What is the InChIKey of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is DXPAMCLDEOZNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-2-27(24,25)22-8-7-15-16(11-22)26-18(20-15)21-17(23)9-12-10-19-14-6-4-3-5-13(12)14/h3-6,10,19H,2,7-9,11H2,1H3,(H,20,21,23).
What are the key properties of N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide?
N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 404.52 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 90532385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).