2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide

C19H21N3O3S — CID 167954868

IUPAC2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide
SMILESO=C(Cc1nsc2ccccc12)NC1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C19H21N3O3S/c23-17(11-15-14-3-1-2-4-16(14)26-21-15)20-12-5-7-13(8-6-12)22-18(24)9-10-19(22)25/h1-4,12-13H,5-11H2,(H,20,23)
InChIKeyYEQYRHWYJZBZKR-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.42
Rot. Bonds4

About 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide

2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide (PubChem CID 167954868) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide
PubChem CID167954868
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide
SMILESO=C(Cc1nsc2ccccc12)NC1CCC(N2C(=O)CCC2=O)CC1
InChIInChI=1S/C19H21N3O3S/c23-17(11-15-14-3-1-2-4-16(14)26-21-15)20-12-5-7-13(8-6-12)22-18(24)9-10-19(22)25/h1-4,12-13H,5-11H2,(H,20,23)
InChIKeyYEQYRHWYJZBZKR-UHFFFAOYSA-N
XLogP2.42
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]-1,2-benzothiazole-3-carboxamide
CID 167983007
2-(1,2-benzothiazol-3-yl)-N-methylacetamide
CID 821850
2-(1,2-benzothiazol-3-yl)-1-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone
CID 128890766
2-(1,2-benzothiazol-3-yl)-1-(3-cyclobutyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 128891494
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-methoxyacetamide
CID 134135507
2-(1,2-benzoxazol-3-yl)-N-[4-(1,2,4-triazol-1-yl)cyclohexyl]acetamide
CID 175642643
tert-butyl 4-[3-(1,2-benzothiazol-3-ylamino)propylamino]piperidine-1-carboxylate
CID 58727150
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 27710609
1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 86265591
2-(1,2-benzothiazol-3-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 10807060

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide (CID 167954868) is 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide is O=C(Cc1nsc2ccccc12)NC1CCC(N2C(=O)CCC2=O)CC1.
What is the InChIKey of 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide?
The InChIKey is YEQYRHWYJZBZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-17(11-15-14-3-1-2-4-16(14)26-21-15)20-12-5-7-13(8-6-12)22-18(24)9-10-19(22)25/h1-4,12-13H,5-11H2,(H,20,23).
What are the key properties of 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide?
2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzothiazol-3-yl)-N-[4-(2,5-dioxopyrrolidin-1-yl)cyclohexyl]acetamide is sourced from PubChem (CID 167954868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).