N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide

C24H18N4O2S — CID 55333760

IUPACN-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide
SMILESCc1ccccc1N(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2s1
InChIInChI=1S/C24H18N4O2S/c1-15-9-3-7-13-19(15)28(24-25-18-12-6-8-14-20(18)31-24)23(30)21-16-10-4-5-11-17(16)22(29)27(2)26-21/h3-14H,1-2H3
InChIKeyGRXLCRZJLYLZGN-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.83
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide

N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide (PubChem CID 55333760) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide
PubChem CID55333760
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide
SMILESCc1ccccc1N(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2s1
InChIInChI=1S/C24H18N4O2S/c1-15-9-3-7-13-19(15)28(24-25-18-12-6-8-14-20(18)31-24)23(30)21-16-10-4-5-11-17(16)22(29)27(2)26-21/h3-14H,1-2H3
InChIKeyGRXLCRZJLYLZGN-UHFFFAOYSA-N
XLogP4.83
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)furan-2-carboxamide
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N-(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)-2-phenoxypropanamide
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CID 2472979
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(E)-N,3-bis(1,3-benzothiazol-2-yl)-N-(2-methylphenyl)prop-2-enamide
CID 55333731
N-(1,3-benzothiazol-2-yl)-5-methyl-N-(2-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55604825
N-(1,3-benzothiazol-2-yl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide (CID 55333760) is N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide is Cc1ccccc1N(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is GRXLCRZJLYLZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-15-9-3-7-13-19(15)28(24-25-18-12-6-8-14-20(18)31-24)23(30)21-16-10-4-5-11-17(16)22(29)27(2)26-21/h3-14H,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-methyl-N-(2-methylphenyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55333760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).