5-methyl-1,2-benzothiazole-3-carboxamide

C9H8N2OS — CID 2822798

IUPAC5-methyl-1,2-benzothiazole-3-carboxamide
SMILESCc1ccc2snc(C(N)=O)c2c1
InChIInChI=1S/C9H8N2OS/c1-5-2-3-7-6(4-5)8(9(10)12)11-13-7/h2-4H,1H3,(H2,10,12)
InChIKeyOGVKLTWKVWSOMS-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.70
Rot. Bonds1

About 5-methyl-1,2-benzothiazole-3-carboxamide

5-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 2822798) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID2822798
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-methyl-1,2-benzothiazole-3-carboxamide
SMILESCc1ccc2snc(C(N)=O)c2c1
InChIInChI=1S/C9H8N2OS/c1-5-2-3-7-6(4-5)8(9(10)12)11-13-7/h2-4H,1H3,(H2,10,12)
InChIKeyOGVKLTWKVWSOMS-UHFFFAOYSA-N
XLogP1.70
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of 5-methyl-1,2-benzothiazole-3-carboxamide (CID 2822798) is 5-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for 5-methyl-1,2-benzothiazole-3-carboxamide is Cc1ccc2snc(C(N)=O)c2c1.
What is the InChIKey of 5-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is OGVKLTWKVWSOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-5-2-3-7-6(4-5)8(9(10)12)11-13-7/h2-4H,1H3,(H2,10,12).
What are the key properties of 5-methyl-1,2-benzothiazole-3-carboxamide?
5-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 192.24 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 2822798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).