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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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).