N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C18H16N4O3S — CID 112830119

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3c(=O)[nH]c4ccccc43)sc2c1
InChIInChI=1S/C18H16N4O3S/c1-2-25-11-7-8-13-15(9-11)26-17(19-13)21-16(23)10-22-14-6-4-3-5-12(14)20-18(22)24/h3-9H,2,10H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyGIKPNRLUQMZKBB-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.98
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 112830119) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID112830119
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCOc1ccc2nc(NC(=O)Cn3c(=O)[nH]c4ccccc43)sc2c1
InChIInChI=1S/C18H16N4O3S/c1-2-25-11-7-8-13-15(9-11)26-17(19-13)21-16(23)10-22-14-6-4-3-5-12(14)20-18(22)24/h3-9H,2,10H2,1H3,(H,20,24)(H,19,21,23)
InChIKeyGIKPNRLUQMZKBB-UHFFFAOYSA-N
XLogP2.98
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4608315
2-(4-benzylpiperazin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 17066517
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25470450
(3S)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 7926146
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135427762
4-(1,3-dioxoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2677097
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112841596
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 167869533
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135551052

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 112830119) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is CCOc1ccc2nc(NC(=O)Cn3c(=O)[nH]c4ccccc43)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is GIKPNRLUQMZKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-2-25-11-7-8-13-15(9-11)26-17(19-13)21-16(23)10-22-14-6-4-3-5-12(14)20-18(22)24/h3-9H,2,10H2,1H3,(H,20,24)(H,19,21,23).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 368.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 112830119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).