1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate

C17H12Cl2N2O3S — CID 2110316

IUPAC1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1nc2ccccc2s1
InChIInChI=1S/C17H12Cl2N2O3S/c18-10-5-6-11(12(19)7-10)17(23)20-8-16(22)24-9-15-21-13-3-1-2-4-14(13)25-15/h1-7H,8-9H2,(H,20,23)
InChIKeyYHBAMFJXGBZNAR-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.08
Rot. Bonds5

About 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate

1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 2110316) has the molecular formula C17H12Cl2N2O3S and a molecular weight of 395.27 g/mol. Its IUPAC name is 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID2110316
Molecular FormulaC17H12Cl2N2O3S
Molecular Weight395.27 g/mol
Exact Mass393.99
IUPAC Name1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1nc2ccccc2s1
InChIInChI=1S/C17H12Cl2N2O3S/c18-10-5-6-11(12(19)7-10)17(23)20-8-16(22)24-9-15-21-13-3-1-2-4-14(13)25-15/h1-7H,8-9H2,(H,20,23)
InChIKeyYHBAMFJXGBZNAR-UHFFFAOYSA-N
XLogP4.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 2110316) is 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate is O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCc1nc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is YHBAMFJXGBZNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3S/c18-10-5-6-11(12(19)7-10)17(23)20-8-16(22)24-9-15-21-13-3-1-2-4-14(13)25-15/h1-7H,8-9H2,(H,20,23).
What are the key properties of 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 395.27 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-2-ylmethyl 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 2110316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).