N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide

C9H10N2O2S — CID 129283083

IUPACN-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide
SMILESCNC(=O)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C9H10N2O2S/c1-10-8(13)9-11-7-5(12)3-2-4-6(7)14-9/h2-4H2,1H3,(H,10,13)
InChIKeyFLSRSLMDWGPKOE-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.02
Rot. Bonds1

About N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide

N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide (PubChem CID 129283083) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide
PubChem CID129283083
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC NameN-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide
SMILESCNC(=O)c1nc2c(s1)CCCC2=O
InChIInChI=1S/C9H10N2O2S/c1-10-8(13)9-11-7-5(12)3-2-4-6(7)14-9/h2-4H2,1H3,(H,10,13)
InChIKeyFLSRSLMDWGPKOE-UHFFFAOYSA-N
XLogP1.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975135
2-[methyl(propan-2-yl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976302
2-[ethyl(2-methoxyethyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976272
2-(4-propan-2-ylphenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975721
ethane;4-hydroxy-N,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
CID 145337903
2-(tert-butylsulfanylmethyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 65132694
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975834
2-[(3-methylphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975201
2-(3,4-dichlorophenyl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975731
2-[methyl(2-methylpropyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976404
2-[2,2-dimethylpropyl(methyl)amino]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64976905
2-(3-methyl-1,4-dithian-2-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 115388319

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide (CID 129283083) is N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide is CNC(=O)c1nc2c(s1)CCCC2=O.
What is the InChIKey of N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide?
The InChIKey is FLSRSLMDWGPKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-10-8(13)9-11-7-5(12)3-2-4-6(7)14-9/h2-4H2,1H3,(H,10,13).
What are the key properties of N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide?
N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide has a molecular weight of 210.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-6,7-dihydro-5H-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 129283083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).