N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C14H12N2O2S2 — CID 958996

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCCOc1cccc2sc(NC(=O)c3cccs3)nc12
InChIInChI=1S/C14H12N2O2S2/c1-2-18-9-5-3-6-10-12(9)15-14(20-10)16-13(17)11-7-4-8-19-11/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyIRLLWNWVBDMAIB-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.01
Rot. Bonds4

About N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 958996) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID958996
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCCOc1cccc2sc(NC(=O)c3cccs3)nc12
InChIInChI=1S/C14H12N2O2S2/c1-2-18-9-5-3-6-10-12(9)15-14(20-10)16-13(17)11-7-4-8-19-11/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyIRLLWNWVBDMAIB-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
2-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 5185443
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
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7578411
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 4126701
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 19214374
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide
CID 19214372
2-(2-chlorophenoxy)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 19214384
2-(5-chlorothiophen-2-yl)-N-(4-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 41340393
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544064

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 958996) is N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is CCOc1cccc2sc(NC(=O)c3cccs3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is IRLLWNWVBDMAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-2-18-9-5-3-6-10-12(9)15-14(20-10)16-13(17)11-7-4-8-19-11/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 304.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 958996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).