4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane

C14H22N2OS — CID 143956587

IUPAC4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane
SMILESCC.CC.Cc1cc(C)c2c(C(N)=O)nsc2c1
InChIInChI=1S/C10H10N2OS.2C2H6/c1-5-3-6(2)8-7(4-5)14-12-9(8)10(11)13;2*1-2/h3-4H,1-2H3,(H2,11,13);2*1-2H3
InChIKeyOFXQGIVHALAMIC-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.06
Rot. Bonds1

About 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane

4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane (PubChem CID 143956587) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane.

Molecular Properties

Compound Name4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane
PubChem CID143956587
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane
SMILESCC.CC.Cc1cc(C)c2c(C(N)=O)nsc2c1
InChIInChI=1S/C10H10N2OS.2C2H6/c1-5-3-6(2)8-7(4-5)14-12-9(8)10(11)13;2*1-2/h3-4H,1-2H3,(H2,11,13);2*1-2H3
InChIKeyOFXQGIVHALAMIC-UHFFFAOYSA-N
XLogP4.06
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane?
The IUPAC name of 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane (CID 143956587) is 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane.
What is the SMILES notation for 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane?
The canonical SMILES for 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane is CC.CC.Cc1cc(C)c2c(C(N)=O)nsc2c1.
What is the InChIKey of 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane?
The InChIKey is OFXQGIVHALAMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS.2C2H6/c1-5-3-6(2)8-7(4-5)14-12-9(8)10(11)13;2*1-2/h3-4H,1-2H3,(H2,11,13);2*1-2H3.
What are the key properties of 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane?
4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane has a molecular weight of 266.41 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,2-benzothiazole-3-carboxamide;ethane is sourced from PubChem (CID 143956587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).