6-methoxy-1,3-benzothiazole-2-carboxamide

C9H8N2O2S — CID 539282

IUPAC6-methoxy-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc2nc(C(N)=O)sc2c1
InChIInChI=1S/C9H8N2O2S/c1-13-5-2-3-6-7(4-5)14-9(11-6)8(10)12/h2-4H,1H3,(H2,10,12)
InChIKeyKIJPPCHUGXJVFH-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.40
Rot. Bonds2

About 6-methoxy-1,3-benzothiazole-2-carboxamide

6-methoxy-1,3-benzothiazole-2-carboxamide (PubChem CID 539282) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 6-methoxy-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-1,3-benzothiazole-2-carboxamide
PubChem CID539282
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name6-methoxy-1,3-benzothiazole-2-carboxamide
SMILESCOc1ccc2nc(C(N)=O)sc2c1
InChIInChI=1S/C9H8N2O2S/c1-13-5-2-3-6-7(4-5)14-9(11-6)8(10)12/h2-4H,1H3,(H2,10,12)
InChIKeyKIJPPCHUGXJVFH-UHFFFAOYSA-N
XLogP1.40
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-propan-2-yloxy-1,3-benzothiazole-2-carboxamide
CID 119085444
sodium 6-methoxy-1,3-benzothiazole-2-carboxylate
CID 23680135
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)-3-oxopropanoate
CID 22059303
4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
CID 131858263
6-methoxy-2-[(6-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 20537765
CID 158604119
CID 158604119
(2R)-2-[[(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfanylmethylidene]amino]propanoic acid
CID 71095541
5-methoxy-1,3-benzothiazole-2-carboxylic acid
CID 45077357
(6-methoxy-1,3-benzothiazol-2-yl)-methylsulfonylazanide
CID 5049707
5-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617590
2-(6-methoxy-1,3-benzothiazol-2-yl)-3,3-bis(methylsulfonyl)prop-2-enenitrile
CID 87142557
3-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enoic acid
CID 131887333

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 6-methoxy-1,3-benzothiazole-2-carboxamide (CID 539282) is 6-methoxy-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 6-methoxy-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 6-methoxy-1,3-benzothiazole-2-carboxamide is COc1ccc2nc(C(N)=O)sc2c1.
What is the InChIKey of 6-methoxy-1,3-benzothiazole-2-carboxamide?
The InChIKey is KIJPPCHUGXJVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-13-5-2-3-6-7(4-5)14-9(11-6)8(10)12/h2-4H,1H3,(H2,10,12).
What are the key properties of 6-methoxy-1,3-benzothiazole-2-carboxamide?
6-methoxy-1,3-benzothiazole-2-carboxamide has a molecular weight of 208.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 539282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).