N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide

C18H14N4O3S — CID 74647316

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CC3N=NC(=O)c4ccccc43)sc2c1
InChIInChI=1S/C18H14N4O3S/c1-25-10-6-7-13-15(8-10)26-18(19-13)20-16(23)9-14-11-4-2-3-5-12(11)17(24)22-21-14/h2-8,14H,9H2,1H3,(H,19,20,23)
InChIKeyNBAMERGBQMINAG-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.98
Rot. Bonds4

About N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide (PubChem CID 74647316) 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-oxo-1H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide
PubChem CID74647316
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)CC3N=NC(=O)c4ccccc43)sc2c1
InChIInChI=1S/C18H14N4O3S/c1-25-10-6-7-13-15(8-10)26-18(19-13)20-16(23)9-14-11-4-2-3-5-12(11)17(24)22-21-14/h2-8,14H,9H2,1H3,(H,19,20,23)
InChIKeyNBAMERGBQMINAG-UHFFFAOYSA-N
XLogP3.98
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8882986
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 51048655
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
(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-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide
CID 110686464
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 4146150
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23734625
3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 51042996

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide (CID 74647316) is N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide is COc1ccc2nc(NC(=O)CC3N=NC(=O)c4ccccc43)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide?
The InChIKey is NBAMERGBQMINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-25-10-6-7-13-15(8-10)26-18(19-13)20-16(23)9-14-11-4-2-3-5-12(11)17(24)22-21-14/h2-8,14H,9H2,1H3,(H,19,20,23).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide has a molecular weight of 366.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-oxo-1H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 74647316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).