N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen

C11H14N2OS — CID 155749287

IUPACN-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
SMILESCCNC(=O)c1ccc2nc(C)sc2c1.[H][H]
InChIInChI=1S/C11H12N2OS.H2/c1-3-12-11(14)8-4-5-9-10(6-8)15-7(2)13-9;/h4-6H,3H2,1-2H3,(H,12,14);1H
InChIKeyNKVXUCUBCRQLRK-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.60
Rot. Bonds2

About N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen

N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen (PubChem CID 155749287) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
PubChem CID155749287
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC NameN-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
SMILESCCNC(=O)c1ccc2nc(C)sc2c1.[H][H]
InChIInChI=1S/C11H12N2OS.H2/c1-3-12-11(14)8-4-5-9-10(6-8)15-7(2)13-9;/h4-6H,3H2,1-2H3,(H,12,14);1H
InChIKeyNKVXUCUBCRQLRK-UHFFFAOYSA-N
XLogP2.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68765772
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
2-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]ethanesulfinic acid
CID 145100847
N-ethyl-4-methoxy-3-[(2-methyl-1,3-benzothiazol-6-yl)sulfamoyl]benzamide
CID 30152972
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 28934838
ethyl 3-(2-methyl-1,3-benzothiazol-6-yl)-3-oxopropanoate
CID 11425532
(3R)-3-[(2-methyl-1,3-benzothiazole-6-carbonyl)amino]hexanoic acid
CID 126451493
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449
2-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-benzothiazole-6-carboxamide
CID 126195886
N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 46964217

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen?
The IUPAC name of N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen (CID 155749287) is N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen.
What is the SMILES notation for N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen?
The canonical SMILES for N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen is CCNC(=O)c1ccc2nc(C)sc2c1.[H][H].
What is the InChIKey of N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen?
The InChIKey is NKVXUCUBCRQLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS.H2/c1-3-12-11(14)8-4-5-9-10(6-8)15-7(2)13-9;/h4-6H,3H2,1-2H3,(H,12,14);1H.
What are the key properties of N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen?
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen has a molecular weight of 222.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen is sourced from PubChem (CID 155749287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).