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

C23H19FN4O3S — CID 46326080

IUPACN-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1cc(NC(=O)Nc2ccc(C)c(F)c2)cc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C23H19FN4O3S/c1-13-8-9-15(10-17(13)24)25-22(30)26-16-11-18(31-2)20-19(12-16)32-23(27-20)28-21(29)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,25,26,30)(H,27,28,29)
InChIKeyOUWIZAWKJCOQPR-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.65
Rot. Bonds5

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

N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide (PubChem CID 46326080) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
PubChem CID46326080
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC NameN-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1cc(NC(=O)Nc2ccc(C)c(F)c2)cc2sc(NC(=O)c3ccccc3)nc12
InChIInChI=1S/C23H19FN4O3S/c1-13-8-9-15(10-17(13)24)25-22(30)26-16-11-18(31-2)20-19(12-16)32-23(27-20)28-21(29)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,25,26,30)(H,27,28,29)
InChIKeyOUWIZAWKJCOQPR-UHFFFAOYSA-N
XLogP5.65
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(benzylcarbamoylamino)-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46326077
N-(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)-2-methoxybenzamide
CID 46291080
ethyl 2-[(2-benzamido-4-methoxy-1,3-benzothiazol-6-yl)carbamoylamino]benzoate
CID 46326065
N-[6-[(3,4,5-trimethoxyphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325858
N-[4-methoxy-6-[(3-methoxyphenyl)methylcarbamoylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46326085
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
N-[4-methoxy-6-[(2-phenylsulfanylacetyl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 46291081
N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326019
N-[4-methoxy-6-[(3-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326028
N-[6-[(4-ethylphenyl)carbamoylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
CID 46325926
N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325719
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide (CID 46326080) is N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide is COc1cc(NC(=O)Nc2ccc(C)c(F)c2)cc2sc(NC(=O)c3ccccc3)nc12.
What is the InChIKey of N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is OUWIZAWKJCOQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c1-13-8-9-15(10-17(13)24)25-22(30)26-16-11-18(31-2)20-19(12-16)32-23(27-20)28-21(29)14-6-4-3-5-7-14/h3-12H,1-2H3,(H2,25,26,30)(H,27,28,29).
What are the key properties of N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide?
N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 450.50 g/mol, XLogP of 5.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-fluoro-4-methylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 46326080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).