N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C18H20N4O2S — CID 90640508

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CCc4nc(C)[nH]c4C3)sc2c1
InChIInChI=1S/C18H20N4O2S/c1-3-24-12-5-7-14-16(9-12)25-18(21-14)22-17(23)11-4-6-13-15(8-11)20-10(2)19-13/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyWPZOWJRLPSDNCL-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.47
Rot. Bonds4

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 90640508) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID90640508
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)C3CCc4nc(C)[nH]c4C3)sc2c1
InChIInChI=1S/C18H20N4O2S/c1-3-24-12-5-7-14-16(9-12)25-18(21-14)22-17(23)11-4-6-13-15(8-11)20-10(2)19-13/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyWPZOWJRLPSDNCL-UHFFFAOYSA-N
XLogP3.47
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640541
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 78982440
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-hydroxycyclopentane-1-carboxamide
CID 110014465
trans-(1S,2S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 8883363
N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 18071816
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262466
6-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-4-methylcyclohex-3-ene-1-carboxylic acid
CID 3294486
1-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7647920
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46596910
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611795
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 43049380

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 90640508) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is CCOc1ccc2nc(NC(=O)C3CCc4nc(C)[nH]c4C3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is WPZOWJRLPSDNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-3-24-12-5-7-14-16(9-12)25-18(21-14)22-17(23)11-4-6-13-15(8-11)20-10(2)19-13/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,19,20)(H,21,22,23).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 90640508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).