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

C10H12N2O2S — CID 610719

IUPACN-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)N(C)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C10H12N2O2S/c1-6(13)12(2)10-11-7-4-3-5-8(14)9(7)15-10/h3-5H2,1-2H3
InChIKeyHFNMRSLQYBBZQQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.64
Rot. Bonds1

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

N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (PubChem CID 610719) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
PubChem CID610719
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
SMILESCC(=O)N(C)c1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C10H12N2O2S/c1-6(13)12(2)10-11-7-4-3-5-8(14)9(7)15-10/h3-5H2,1-2H3
InChIKeyHFNMRSLQYBBZQQ-UHFFFAOYSA-N
XLogP1.64
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide (CID 610719) is N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is CC(=O)N(C)c1nc2c(s1)C(=O)CCC2.
What is the InChIKey of N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is HFNMRSLQYBBZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-6(13)12(2)10-11-7-4-3-5-8(14)9(7)15-10/h3-5H2,1-2H3.
What are the key properties of N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide?
N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 610719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).