4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide

C16H13N3O3S — CID 78797293

IUPAC4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc(C(N)=O)cc3)nc12
InChIInChI=1S/C16H13N3O3S/c1-22-11-3-2-4-12-13(11)18-16(23-12)19-15(21)10-7-5-9(6-8-10)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19,21)
InChIKeyRTNNKIIQWQPCOE-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.66
Rot. Bonds4

About 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide

4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide (PubChem CID 78797293) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
PubChem CID78797293
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc(C(N)=O)cc3)nc12
InChIInChI=1S/C16H13N3O3S/c1-22-11-3-2-4-12-13(11)18-16(23-12)19-15(21)10-7-5-9(6-8-10)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19,21)
InChIKeyRTNNKIIQWQPCOE-UHFFFAOYSA-N
XLogP2.66
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
CID 173125975
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
4-(benzenesulfonamido)-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 16803054
3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
methyl 2-[(4-methoxy-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952140
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 24586156
4-fluoro-N'-(4-methoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 7105534

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide (CID 78797293) is 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide is COc1cccc2sc(NC(=O)c3ccc(C(N)=O)cc3)nc12.
What is the InChIKey of 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is RTNNKIIQWQPCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-22-11-3-2-4-12-13(11)18-16(23-12)19-15(21)10-7-5-9(6-8-10)14(17)20/h2-8H,1H3,(H2,17,20)(H,18,19,21).
What are the key properties of 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide?
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 78797293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).