5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid

C15H12N2O4S2 — CID 167898418

IUPAC5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCOc1ccc2nc(NC(=O)Cc3cc(C(=O)O)cs3)sc2c1
InChIInChI=1S/C15H12N2O4S2/c1-21-9-2-3-11-12(5-9)23-15(16-11)17-13(18)6-10-4-8(7-22-10)14(19)20/h2-5,7H,6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyVKOGWIAVWVEQFE-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.25
Rot. Bonds5

About 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid

5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid (PubChem CID 167898418) has the molecular formula C15H12N2O4S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid
PubChem CID167898418
Molecular FormulaC15H12N2O4S2
Molecular Weight348.41 g/mol
Exact Mass348.02
IUPAC Name5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid
SMILESCOc1ccc2nc(NC(=O)Cc3cc(C(=O)O)cs3)sc2c1
InChIInChI=1S/C15H12N2O4S2/c1-21-9-2-3-11-12(5-9)23-15(16-11)17-13(18)6-10-4-8(7-22-10)14(19)20/h2-5,7H,6H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyVKOGWIAVWVEQFE-UHFFFAOYSA-N
XLogP3.25
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid with MolForge

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
2-(4-chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 708592
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide
CID 110686464
2-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2596997
2-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 8719441
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848017
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
2-ethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2163146
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
CID 110678670

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid (CID 167898418) is 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid is COc1ccc2nc(NC(=O)Cc3cc(C(=O)O)cs3)sc2c1.
What is the InChIKey of 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid?
The InChIKey is VKOGWIAVWVEQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S2/c1-21-9-2-3-11-12(5-9)23-15(16-11)17-13(18)6-10-4-8(7-22-10)14(19)20/h2-5,7H,6H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid?
5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid has a molecular weight of 348.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 167898418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).