N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide

C18H14N4O3S — CID 47011287

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3ncc(=O)c4ccccc43)sc2c1
InChIInChI=1S/C18H14N4O3S/c1-25-11-6-7-13-16(8-11)26-18(20-13)21-17(24)10-22-14-5-3-2-4-12(14)15(23)9-19-22/h2-9H,10H2,1H3,(H,20,21,24)
InChIKeyKXPYBNSFLVZAME-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.65
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide (PubChem CID 47011287) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide
PubChem CID47011287
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3ncc(=O)c4ccccc43)sc2c1
InChIInChI=1S/C18H14N4O3S/c1-25-11-6-7-13-16(8-11)26-18(20-13)21-17(24)10-22-14-5-3-2-4-12(14)15(23)9-19-22/h2-9H,10H2,1H3,(H,20,21,24)
InChIKeyKXPYBNSFLVZAME-UHFFFAOYSA-N
XLogP2.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 55763290
2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 20931281
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 1238182
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24529057
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 25470450
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 3237471
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-oxocinnolin-1-yl)acetamide
CID 134012646
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 9325587
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 23911692
methyl 2-[4-[[2-(4-oxocinnolin-1-yl)acetyl]amino]phenoxy]acetate
CID 55709062

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide (CID 47011287) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide is COc1ccc2nc(NC(=O)Cn3ncc(=O)c4ccccc43)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide?
The InChIKey is KXPYBNSFLVZAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-25-11-6-7-13-16(8-11)26-18(20-13)21-17(24)10-22-14-5-3-2-4-12(14)15(23)9-19-22/h2-9H,10H2,1H3,(H,20,21,24).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide has a molecular weight of 366.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxocinnolin-1-yl)acetamide is sourced from PubChem (CID 47011287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).