5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C14H11BrN2O2S2 — CID 3704578

IUPAC5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1
InChIInChI=1S/C14H11BrN2O2S2/c1-2-19-8-3-4-9-11(7-8)21-14(16-9)17-13(18)10-5-6-12(15)20-10/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyWNFHFWVSEQNLLD-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.77
Rot. Bonds4

About 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 3704578) has the molecular formula C14H11BrN2O2S2 and a molecular weight of 383.29 g/mol. Its IUPAC name is 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID3704578
Molecular FormulaC14H11BrN2O2S2
Molecular Weight383.29 g/mol
Exact Mass381.94
IUPAC Name5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1
InChIInChI=1S/C14H11BrN2O2S2/c1-2-19-8-3-4-9-11(7-8)21-14(16-9)17-13(18)10-5-6-12(15)20-10/h3-7H,2H2,1H3,(H,16,17,18)
InChIKeyWNFHFWVSEQNLLD-UHFFFAOYSA-N
XLogP4.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 52671880
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,1-diethylurea
CID 3926238
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-bromothiophene-2-carboxamide
CID 55769726
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 1091092
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3661390

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 3704578) is 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CCOc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1.
What is the InChIKey of 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is WNFHFWVSEQNLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S2/c1-2-19-8-3-4-9-11(7-8)21-14(16-9)17-13(18)10-5-6-12(15)20-10/h3-7H,2H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 3704578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).