5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide

C11H12N2O4S — CID 622705

IUPAC5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide
SMILESCOc1cc2nc(C(N)=O)sc2c(OC)c1OC
InChIInChI=1S/C11H12N2O4S/c1-15-6-4-5-9(8(17-3)7(6)16-2)18-11(13-5)10(12)14/h4H,1-3H3,(H2,12,14)
InChIKeyFLSIOBSXJGHETK-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.42
Rot. Bonds4

About 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide

5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide (PubChem CID 622705) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide
PubChem CID622705
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide
SMILESCOc1cc2nc(C(N)=O)sc2c(OC)c1OC
InChIInChI=1S/C11H12N2O4S/c1-15-6-4-5-9(8(17-3)7(6)16-2)18-11(13-5)10(12)14/h4H,1-3H3,(H2,12,14)
InChIKeyFLSIOBSXJGHETK-UHFFFAOYSA-N
XLogP1.42
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide (CID 622705) is 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide is COc1cc2nc(C(N)=O)sc2c(OC)c1OC.
What is the InChIKey of 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide?
The InChIKey is FLSIOBSXJGHETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-15-6-4-5-9(8(17-3)7(6)16-2)18-11(13-5)10(12)14/h4H,1-3H3,(H2,12,14).
What are the key properties of 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide?
5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 622705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).