3-amino-5-methyl-1,2-benzothiazole-6-carboxamide

C9H9N3OS — CID 58841102

IUPAC3-amino-5-methyl-1,2-benzothiazole-6-carboxamide
SMILESCc1cc2c(N)nsc2cc1C(N)=O
InChIInChI=1S/C9H9N3OS/c1-4-2-6-7(14-12-8(6)10)3-5(4)9(11)13/h2-3H,1H3,(H2,10,12)(H2,11,13)
InChIKeyZOHZFNKBXQZLDH-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.29
Rot. Bonds1

About 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide

3-amino-5-methyl-1,2-benzothiazole-6-carboxamide (PubChem CID 58841102) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name3-amino-5-methyl-1,2-benzothiazole-6-carboxamide
PubChem CID58841102
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-amino-5-methyl-1,2-benzothiazole-6-carboxamide
SMILESCc1cc2c(N)nsc2cc1C(N)=O
InChIInChI=1S/C9H9N3OS/c1-4-2-6-7(14-12-8(6)10)3-5(4)9(11)13/h2-3H,1H3,(H2,10,12)(H2,11,13)
InChIKeyZOHZFNKBXQZLDH-UHFFFAOYSA-N
XLogP1.29
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methyl-1,2-benzothiazole-3-carboxamide
CID 2822798
Benzo[f][1,2]benzothiazole-3-carboxamide
CID 85837968
5,6-Dimethyl-1,2-benzothiazol-3-amine
CID 20299903
6-Methyl-1,2-benzothiazole-3-carboxamide
CID 58465368
4,6-Dimethyl-1,2-benzisothiazole-3-carboxylic acid amide
CID 58497436
1-(3-Amino-1,2-benzothiazol-5-yl)ethanone
CID 85874140
1-(3-Amino-1,2-benzothiazol-6-yl)ethanone
CID 85874141
3-Amino-5-methyl-1,2-benzothiazole-6-carbaldehyde
CID 88272404
4-Methyl-1,2-benzothiazole-3-carboxamide
CID 119091354
4-Ethyl-1,2-benzothiazole-3-carboxamide
CID 142635019
5-Methyl-1,2-benzothiazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one
CID 142943634
4,6-Dimethyl-1,2-benzothiazole-3-carboxamide;ethane
CID 143956587

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide?
The IUPAC name of 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide (CID 58841102) is 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide.
What is the SMILES notation for 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide?
The canonical SMILES for 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide is Cc1cc2c(N)nsc2cc1C(N)=O.
What is the InChIKey of 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide?
The InChIKey is ZOHZFNKBXQZLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-4-2-6-7(14-12-8(6)10)3-5(4)9(11)13/h2-3H,1H3,(H2,10,12)(H2,11,13).
What are the key properties of 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide?
3-amino-5-methyl-1,2-benzothiazole-6-carboxamide has a molecular weight of 207.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1,2-benzothiazole-6-carboxamide is sourced from PubChem (CID 58841102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).