N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide

C11H12N2OS — CID 53015461

IUPACN-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide
SMILESCCNC(=O)c1nsc2ccc(C)cc12
InChIInChI=1S/C11H12N2OS/c1-3-12-11(14)10-8-6-7(2)4-5-9(8)15-13-10/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyHWBIRNBPSTZUGA-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.35
Rot. Bonds2

About N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide

N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide (PubChem CID 53015461) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide
PubChem CID53015461
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide
SMILESCCNC(=O)c1nsc2ccc(C)cc12
InChIInChI=1S/C11H12N2OS/c1-3-12-11(14)10-8-6-7(2)4-5-9(8)15-13-10/h4-6H,3H2,1-2H3,(H,12,14)
InChIKeyHWBIRNBPSTZUGA-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide?
The IUPAC name of N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide (CID 53015461) is N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide is CCNC(=O)c1nsc2ccc(C)cc12.
What is the InChIKey of N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide?
The InChIKey is HWBIRNBPSTZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-3-12-11(14)10-8-6-7(2)4-5-9(8)15-13-10/h4-6H,3H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide?
N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide has a molecular weight of 220.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1,2-benzothiazole-3-carboxamide is sourced from PubChem (CID 53015461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).