N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

C18H21N5O4S2 — CID 20947074

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3cnc(S(=O)(=O)N4CCCC4)c3)sc2c1
InChIInChI=1S/C18H21N5O4S2/c1-2-27-13-5-6-14-15(9-13)28-18(20-14)21-16(24)10-22-11-17(19-12-22)29(25,26)23-7-3-4-8-23/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,20,21,24)
InChIKeyRWGMSXRCAGAPHH-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.31
Rot. Bonds7

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20947074) has the molecular formula C18H21N5O4S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20947074
Molecular FormulaC18H21N5O4S2
Molecular Weight435.53 g/mol
Exact Mass435.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3cnc(S(=O)(=O)N4CCCC4)c3)sc2c1
InChIInChI=1S/C18H21N5O4S2/c1-2-27-13-5-6-14-15(9-13)28-18(20-14)21-16(24)10-22-11-17(19-12-22)29(25,26)23-7-3-4-8-23/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,20,21,24)
InChIKeyRWGMSXRCAGAPHH-UHFFFAOYSA-N
XLogP2.31
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949492
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 46341352
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 95073448
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 167869533
2-(2,2-dimethylmorpholin-4-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 37403117
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559652
N-cyclopropyl-1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 55916766
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 43049380
2-(4-benzylpiperazin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 17066517
2-[5-(diethylsulfamoyl)-2-oxo-1-pyridinyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 26251715
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43952248

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20947074) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is CCOc1ccc2nc(NC(=O)Cn3cnc(S(=O)(=O)N4CCCC4)c3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is RWGMSXRCAGAPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S2/c1-2-27-13-5-6-14-15(9-13)28-18(20-14)21-16(24)10-22-11-17(19-12-22)29(25,26)23-7-3-4-8-23/h5-6,9,11-12H,2-4,7-8,10H2,1H3,(H,20,21,24).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 435.53 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20947074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).