N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide

C23H20N4O3S — CID 46326077

IUPACN-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1cc(NC(=O)NCc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C23H20N4O3S/c1-30-18-12-17(25-22(29)24-14-15-8-4-2-5-9-15)13-19-20(18)26-23(31-19)27-21(28)16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H2,24,25,29)(H,26,27,28)
InChIKeyLYQBWOOIMITDLU-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.88
Rot. Bonds6

About N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide

N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46326077) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
PubChem CID46326077
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1cc(NC(=O)NCc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C23H20N4O3S/c1-30-18-12-17(25-22(29)24-14-15-8-4-2-5-9-15)13-19-20(18)26-23(31-19)27-21(28)16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H2,24,25,29)(H,26,27,28)
InChIKeyLYQBWOOIMITDLU-UHFFFAOYSA-N
XLogP4.88
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46326085
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
CID 46291080
N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326080
N-[4-methoxy-6-[(2-phenylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 46291081
ethyl 2-[(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]benzoate
CID 46326065
1-benzyl-3-(5,6-dimethoxy-1,3-benzothiazol-2-yl)urea
CID 121081082
N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325696
N-[6-[(3,4,5-trimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325858
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325720
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
N-[6-[(4-ethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
CID 46325926
3-bromo-N-[4-methoxy-6-(oxidoamino)-1,3-benzothiazol-2-yl]benzamide
CID 143038272

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide (CID 46326077) is N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide is COc1cc(NC(=O)NCc2ccccc2)cc2sc(NC(=O)c3ccccc3)nc12.
What is the InChIKey of N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is LYQBWOOIMITDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-30-18-12-17(25-22(29)24-14-15-8-4-2-5-9-15)13-19-20(18)26-23(31-19)27-21(28)16-10-6-3-7-11-16/h2-13H,14H2,1H3,(H2,24,25,29)(H,26,27,28).
What are the key properties of N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 432.51 g/mol, XLogP of 4.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46326077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).