3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride

C9H11ClN2OS — CID 175255836

IUPAC3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride
SMILESCN1c2ccccc2SC1C(N)=O.Cl
InChIInChI=1S/C9H10N2OS.ClH/c1-11-6-4-2-3-5-7(6)13-9(11)8(10)12;/h2-5,9H,1H3,(H2,10,12);1H
InChIKeyIDJVXVLWFZFMDF-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.46
Rot. Bonds1

About 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride

3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride (PubChem CID 175255836) has the molecular formula C9H11ClN2OS and a molecular weight of 230.72 g/mol. Its IUPAC name is 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride
PubChem CID175255836
Molecular FormulaC9H11ClN2OS
Molecular Weight230.72 g/mol
Exact Mass230.03
IUPAC Name3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride
SMILESCN1c2ccccc2SC1C(N)=O.Cl
InChIInChI=1S/C9H10N2OS.ClH/c1-11-6-4-2-3-5-7(6)13-9(11)8(10)12;/h2-5,9H,1H3,(H2,10,12);1H
InChIKeyIDJVXVLWFZFMDF-UHFFFAOYSA-N
XLogP1.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-2H-1,3-benzothiazole;methanesulfonic acid
CID 174323194
3-methyl-2H-1,3-benzothiazole-2-carbaldehyde
CID 174407805
3-methyl-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)sulfonyl]-2H-1,3-benzothiazole
CID 174831348
4-(3-methyl-2H-1,3-benzothiazol-2-yl)butan-2-one
CID 14360336
2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide
CID 94162766
carbamic acid;1-[(3-methyl-2H-1,3-benzothiazol-2-yl)sulfanyl]propan-2-imine
CID 88707465
3-methyl-2-methylsulfonyl-2H-1,3-benzothiazole
CID 141122930
1-[4-(3-methyl-2H-1,3-benzothiazol-2-yl)phenyl]ethanone;hydrobromide
CID 174480270
(3-methyl-2H-1,3-benzothiazol-2-yl)methanesulfinic acid
CID 174635092
4-(3-methyl-2H-1,3-benzothiazol-2-yl)but-2-en-2-ol
CID 126516811
2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide
CID 67880385
1-[6-(3-methyl-2H-1,3-benzothiazol-2-yl)-2-pyridinyl]ethanone
CID 141241760

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride (CID 175255836) is 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride is CN1c2ccccc2SC1C(N)=O.Cl.
What is the InChIKey of 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride?
The InChIKey is IDJVXVLWFZFMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS.ClH/c1-11-6-4-2-3-5-7(6)13-9(11)8(10)12;/h2-5,9H,1H3,(H2,10,12);1H.
What are the key properties of 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride?
3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride has a molecular weight of 230.72 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride is sourced from PubChem (CID 175255836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).