6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide

C9H8N2O2S — CID 178115695

IUPAC6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCNC(=O)c1nsc2cc(O)ccc12
InChIInChI=1S/C9H8N2O2S/c1-10-9(13)8-6-3-2-5(12)4-7(6)14-11-8/h2-4,12H,1H3,(H,10,13)
InChIKeyXKEHPIFHHFQADX-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.36
Rot. Bonds1

About 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide

6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 178115695) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID178115695
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide
SMILESCNC(=O)c1nsc2cc(O)ccc12
InChIInChI=1S/C9H8N2O2S/c1-10-9(13)8-6-3-2-5(12)4-7(6)14-11-8/h2-4,12H,1H3,(H,10,13)
InChIKeyXKEHPIFHHFQADX-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-N,1-dimethylindole-3-carboxamide
CID 23572873
3-(4-chlorophenyl)-1,2-benzothiazol-6-ol
CID 135847954
3-hydroxy-N-methylquinoline-2-carboxamide
CID 142526023
3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazol-6-ol
CID 135847955
6-amino-N,1-dimethylindazole-3-carboxamide
CID 59335057
2-(5-hydroxy-1,2-benzothiazol-3-yl)acetic acid
CID 82611963
triphenylene-2,6,10-triol
CID 19043276
N-methyl-5-[4-(methylcarbamoyl)thiadiazol-5-yl]sulfanylthiadiazole-4-carboxamide
CID 2721168
5-hydroxy-N,1-dimethylimidazole-4-carboxamide
CID 45120270
5-fluoro-N-methyl-1H-indazole-3-carboxamide
CID 110469324
4-(4-hydroxyanilino)-N-methylpyridine-2-carboxamide
CID 25128735
N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-5-methyl-1,2-benzothiazole-3-carboxamide
CID 136566882

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide (CID 178115695) is 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide is CNC(=O)c1nsc2cc(O)ccc12.
What is the InChIKey of 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is XKEHPIFHHFQADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-10-9(13)8-6-3-2-5(12)4-7(6)14-11-8/h2-4,12H,1H3,(H,10,13).
What are the key properties of 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide?
6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 208.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 178115695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).