5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide

C20H16N2OS2 — CID 4731587

IUPAC5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C20H16N2OS2/c1-2-13-7-3-4-8-14(13)21-19(23)17-11-12-18(24-17)20-22-15-9-5-6-10-16(15)25-20/h3-12H,2H2,1H3,(H,21,23)
InChIKeyFIINEJJUKCFEHZ-UHFFFAOYSA-N
MW364.50 g/mol
LogP5.84
Rot. Bonds4

About 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide (PubChem CID 4731587) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
PubChem CID4731587
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C20H16N2OS2/c1-2-13-7-3-4-8-14(13)21-19(23)17-11-12-18(24-17)20-22-15-9-5-6-10-16(15)25-20/h3-12H,2H2,1H3,(H,21,23)
InChIKeyFIINEJJUKCFEHZ-UHFFFAOYSA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)thiophene-2-carboxamide
CID 4731603
N-(5-acetamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 46463651
ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4072242
N-[(2S)-1-amino-3-methoxy-1-oxopropan-2-yl]-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 97061850
5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3346874
5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 33453322
5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 4586039
5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5147677
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 2397736
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 25486926

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide (CID 4731587) is 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide is CCc1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide?
The InChIKey is FIINEJJUKCFEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c1-2-13-7-3-4-8-14(13)21-19(23)17-11-12-18(24-17)20-22-15-9-5-6-10-16(15)25-20/h3-12H,2H2,1H3,(H,21,23).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide has a molecular weight of 364.50 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 4731587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).