N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide

C17H13N3O3S2 — CID 4621786

IUPACN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(OC)c2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
InChIInChI=1S/C17H13N3O3S2/c1-22-10-6-12(23-2)15-14(7-10)25-17(19-15)20-16(21)9-3-4-11-13(5-9)24-8-18-11/h3-8H,1-2H3,(H,19,20,21)
InChIKeyDDKIFGVFAUCGIN-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.18
Rot. Bonds4

About N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide (PubChem CID 4621786) has the molecular formula C17H13N3O3S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
PubChem CID4621786
Molecular FormulaC17H13N3O3S2
Molecular Weight371.44 g/mol
Exact Mass371.04
IUPAC NameN-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
SMILESCOc1cc(OC)c2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
InChIInChI=1S/C17H13N3O3S2/c1-22-10-6-12(23-2)15-14(7-10)25-17(19-15)20-16(21)9-3-4-11-13(5-9)24-8-18-11/h3-8H,1-2H3,(H,19,20,21)
InChIKeyDDKIFGVFAUCGIN-UHFFFAOYSA-N
XLogP4.18
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 87059661
N-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 2488235
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 142948743
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
4-[bis(2-methoxyethyl)sulfamoyl]-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3299690
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5023943
3-bromo-N-[6-[hydroxy(oxido)amino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 59664132
methyl 2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 4250162
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-3-fluorobenzohydrazide
CID 43953262
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide
CID 3297361

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide (CID 4621786) is N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide is COc1cc(OC)c2nc(NC(=O)c3ccc4ncsc4c3)sc2c1.
What is the InChIKey of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is DDKIFGVFAUCGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S2/c1-22-10-6-12(23-2)15-14(7-10)25-17(19-15)20-16(21)9-3-4-11-13(5-9)24-8-18-11/h3-8H,1-2H3,(H,19,20,21).
What are the key properties of N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide?
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4621786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).