N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide

C18H15N5O2S — CID 42948196

IUPACN-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCn1/c(=N/NC(=O)Cn2ncc3ccccc3c2=O)sc2ccccc21
InChIInChI=1S/C18H15N5O2S/c1-22-14-8-4-5-9-15(14)26-18(22)21-20-16(24)11-23-17(25)13-7-3-2-6-12(13)10-19-23/h2-10H,11H2,1H3,(H,20,24)/b21-18-
InChIKeyHYSWCPJAUUSXGR-UZYVYHOESA-N
MW365.42 g/mol
LogP1.58
Rot. Bonds3

About N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide

N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 42948196) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID42948196
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide
SMILESCn1/c(=N/NC(=O)Cn2ncc3ccccc3c2=O)sc2ccccc21
InChIInChI=1S/C18H15N5O2S/c1-22-14-8-4-5-9-15(14)26-18(22)21-20-16(24)11-23-17(25)13-7-3-2-6-12(13)10-19-23/h2-10H,11H2,1H3,(H,20,24)/b21-18-
InChIKeyHYSWCPJAUUSXGR-UZYVYHOESA-N
XLogP1.58
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 86932554
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 43054266
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-propylsulfonylacetamide
CID 76869138
2-(benzylcarbamoylamino)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 46560431
2-(1-oxophthalazin-2-yl)-N-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]acetamide
CID 102604000
2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928815
1-methyl-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoquinoline-4-carboxamide
CID 55756003
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-nitropyrazol-1-yl)propanamide
CID 76869184

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide (CID 42948196) is N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide is Cn1/c(=N/NC(=O)Cn2ncc3ccccc3c2=O)sc2ccccc21.
What is the InChIKey of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is HYSWCPJAUUSXGR-UZYVYHOESA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-22-14-8-4-5-9-15(14)26-18(22)21-20-16(24)11-23-17(25)13-7-3-2-6-12(13)10-19-23/h2-10H,11H2,1H3,(H,20,24)/b21-18-.
What are the key properties of N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide?
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 365.42 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 42948196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).