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

C19H12N4O2S2 — CID 25486926

IUPAC5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H12N4O2S2/c24-17(20-10-5-6-11-13(9-10)23-19(25)22-11)15-7-8-16(26-15)18-21-12-3-1-2-4-14(12)27-18/h1-9H,(H,20,24)(H2,22,23,25)
InChIKeyWHKVNPXXAAXHBJ-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.45
Rot. Bonds3

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

5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide (PubChem CID 25486926) has the molecular formula C19H12N4O2S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
PubChem CID25486926
Molecular FormulaC19H12N4O2S2
Molecular Weight392.47 g/mol
Exact Mass392.04
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H12N4O2S2/c24-17(20-10-5-6-11-13(9-10)23-19(25)22-11)15-7-8-16(26-15)18-21-12-3-1-2-4-14(12)27-18/h1-9H,(H,20,24)(H2,22,23,25)
InChIKeyWHKVNPXXAAXHBJ-UHFFFAOYSA-N
XLogP4.45
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 46463651
N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 4586039
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)thiophene-2-carboxamide
CID 4731603
5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 4731587
5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5147677
5-[4-[4-[[5-(1H-indol-6-yl)thiophene-2-carbonyl]amino]phenyl]peroxyphenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 155040559
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 33453322
5-(1,3-benzothiazol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]thiophene-2-carboxamide
CID 55855134
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 59980686
5-(1,3-benzothiazol-2-yl)-N-[4-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]thiophene-2-carboxamide
CID 60557891

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide (CID 25486926) is 5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide is O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
The InChIKey is WHKVNPXXAAXHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O2S2/c24-17(20-10-5-6-11-13(9-10)23-19(25)22-11)15-7-8-16(26-15)18-21-12-3-1-2-4-14(12)27-18/h1-9H,(H,20,24)(H2,22,23,25).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 4.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 25486926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).