2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide

C16H13ClN2O2S — CID 5185443

IUPAC2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3Cl)nc12
InChIInChI=1S/C16H13ClN2O2S/c1-2-21-12-8-5-9-13-14(12)18-16(22-13)19-15(20)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyOUBXXIQVPWYHAR-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.60
Rot. Bonds4

About 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide

2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 5185443) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID5185443
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccccc3Cl)nc12
InChIInChI=1S/C16H13ClN2O2S/c1-2-21-12-8-5-9-13-14(12)18-16(22-13)19-15(20)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyOUBXXIQVPWYHAR-UHFFFAOYSA-N
XLogP4.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-bromo-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3431686
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7578411
2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 19214384
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2,5-dimethylbenzamide
CID 3344551
N-(4-butan-2-yl-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 177195106
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-(4-bromo-1,3-benzothiazol-2-yl)-2-chlorobenzamide
CID 7202712
2-chloro-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7193186
4-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 19214358
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 5185443) is 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1cccc2sc(NC(=O)c3ccccc3Cl)nc12.
What is the InChIKey of 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is OUBXXIQVPWYHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-2-21-12-8-5-9-13-14(12)18-16(22-13)19-15(20)10-6-3-4-7-11(10)17/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide?
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 332.81 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 5185443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).