4,6-dimethoxy-1,3-benzothiazole-2-carboxamide

C10H10N2O3S — CID 131858263

IUPAC4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
SMILESCOc1cc(OC)c2nc(C(N)=O)sc2c1
InChIInChI=1S/C10H10N2O3S/c1-14-5-3-6(15-2)8-7(4-5)16-10(12-8)9(11)13/h3-4H,1-2H3,(H2,11,13)
InChIKeyZXOMGFJAPCGSRL-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.41
Rot. Bonds3

About 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide

4,6-dimethoxy-1,3-benzothiazole-2-carboxamide (PubChem CID 131858263) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
PubChem CID131858263
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
SMILESCOc1cc(OC)c2nc(C(N)=O)sc2c1
InChIInChI=1S/C10H10N2O3S/c1-14-5-3-6(15-2)8-7(4-5)16-10(12-8)9(11)13/h3-4H,1-2H3,(H2,11,13)
InChIKeyZXOMGFJAPCGSRL-UHFFFAOYSA-N
XLogP1.41
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide
CID 3297361
N-tert-butyl-4,6-dimethoxy-N-methyl-1,3-benzothiazole-2-sulfonamide
CID 175547377
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 3324697
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N,2-dimethylpropan-2-amine
CID 87296582

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide (CID 131858263) is 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide is COc1cc(OC)c2nc(C(N)=O)sc2c1.
What is the InChIKey of 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide?
The InChIKey is ZXOMGFJAPCGSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-14-5-3-6(15-2)8-7(4-5)16-10(12-8)9(11)13/h3-4H,1-2H3,(H2,11,13).
What are the key properties of 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide?
4,6-dimethoxy-1,3-benzothiazole-2-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 131858263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).