2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide

C10H8Cl2N2OS — CID 13497333

IUPAC2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide
SMILESCc1ccc2nsc(NC(=O)C(Cl)Cl)c2c1
InChIInChI=1S/C10H8Cl2N2OS/c1-5-2-3-7-6(4-5)10(16-14-7)13-9(15)8(11)12/h2-4,8H,1H3,(H,13,15)
InChIKeyJQWVLIFRBKHDNM-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.35
Rot. Bonds2

About 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide

2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide (PubChem CID 13497333) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide
PubChem CID13497333
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide
SMILESCc1ccc2nsc(NC(=O)C(Cl)Cl)c2c1
InChIInChI=1S/C10H8Cl2N2OS/c1-5-2-3-7-6(4-5)10(16-14-7)13-9(15)8(11)12/h2-4,8H,1H3,(H,13,15)
InChIKeyJQWVLIFRBKHDNM-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide?
The IUPAC name of 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide (CID 13497333) is 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide?
The canonical SMILES for 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide is Cc1ccc2nsc(NC(=O)C(Cl)Cl)c2c1.
What is the InChIKey of 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide?
The InChIKey is JQWVLIFRBKHDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c1-5-2-3-7-6(4-5)10(16-14-7)13-9(15)8(11)12/h2-4,8H,1H3,(H,13,15).
What are the key properties of 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide?
2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide has a molecular weight of 275.16 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(5-methyl-2,1-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 13497333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).