N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide

C11H16N2OS — CID 71931835

IUPACN-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide
SMILESCC(=O)N(C)C1CCCc2nc(C)sc21
InChIInChI=1S/C11H16N2OS/c1-7-12-9-5-4-6-10(11(9)15-7)13(3)8(2)14/h10H,4-6H2,1-3H3
InChIKeyQXWDGDNNAWYGOM-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.31
Rot. Bonds1

About N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide

N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide (PubChem CID 71931835) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide
PubChem CID71931835
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide
SMILESCC(=O)N(C)C1CCCc2nc(C)sc21
InChIInChI=1S/C11H16N2OS/c1-7-12-9-5-4-6-10(11(9)15-7)13(3)8(2)14/h10H,4-6H2,1-3H3
InChIKeyQXWDGDNNAWYGOM-UHFFFAOYSA-N
XLogP2.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide?
The IUPAC name of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide (CID 71931835) is N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide.
What is the SMILES notation for N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide?
The canonical SMILES for N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide is CC(=O)N(C)C1CCCc2nc(C)sc21.
What is the InChIKey of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide?
The InChIKey is QXWDGDNNAWYGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7-12-9-5-4-6-10(11(9)15-7)13(3)8(2)14/h10H,4-6H2,1-3H3.
What are the key properties of N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide?
N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide has a molecular weight of 224.33 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)acetamide is sourced from PubChem (CID 71931835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).