2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide

C15H13ClN2O2S2 — CID 41340393

IUPAC2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1cccc2sc(NC(=O)Cc3ccc(Cl)s3)nc12
InChIInChI=1S/C15H13ClN2O2S2/c1-2-20-10-4-3-5-11-14(10)18-15(22-11)17-13(19)8-9-6-7-12(16)21-9/h3-7H,2,8H2,1H3,(H,17,18,19)
InChIKeyRVUUNYMOYKXKDH-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.59
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide

2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 41340393) has the molecular formula C15H13ClN2O2S2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID41340393
Molecular FormulaC15H13ClN2O2S2
Molecular Weight352.87 g/mol
Exact Mass352.01
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1cccc2sc(NC(=O)Cc3ccc(Cl)s3)nc12
InChIInChI=1S/C15H13ClN2O2S2/c1-2-20-10-4-3-5-11-14(10)18-15(22-11)17-13(19)8-9-6-7-12(16)21-9/h3-7H,2,8H2,1H3,(H,17,18,19)
InChIKeyRVUUNYMOYKXKDH-UHFFFAOYSA-N
XLogP4.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 19214384
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41107552
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19214376
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 958996
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544064
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)-2,5-dimethylbenzamide
CID 3344551

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide (CID 41340393) is 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide is CCOc1cccc2sc(NC(=O)Cc3ccc(Cl)s3)nc12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is RVUUNYMOYKXKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2S2/c1-2-20-10-4-3-5-11-14(10)18-15(22-11)17-13(19)8-9-6-7-12(16)21-9/h3-7H,2,8H2,1H3,(H,17,18,19).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide?
2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 352.87 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 41340393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).