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

C19H10BrN3OS3 — CID 5147677

IUPAC5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H10BrN3OS3/c20-10-5-6-12-16(9-10)27-19(22-12)23-17(24)14-7-8-15(25-14)18-21-11-3-1-2-4-13(11)26-18/h1-9H,(H,22,23,24)
InChIKeyMCFZHPRVURECDX-UHFFFAOYSA-N
MW472.41 g/mol
LogP6.65
Rot. Bonds3

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

5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 5147677) has the molecular formula C19H10BrN3OS3 and a molecular weight of 472.41 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID5147677
Molecular FormulaC19H10BrN3OS3
Molecular Weight472.41 g/mol
Exact Mass470.92
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H10BrN3OS3/c20-10-5-6-12-16(9-10)27-19(22-12)23-17(24)14-7-8-15(25-14)18-21-11-3-1-2-4-13(11)26-18/h1-9H,(H,22,23,24)
InChIKeyMCFZHPRVURECDX-UHFFFAOYSA-N
XLogP6.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.41
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5102836
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
5-(1,3-benzothiazol-2-yl)-N-(2,5-dimethylphenyl)thiophene-2-carboxamide
CID 4731603
ethyl 2-[[5-(1,3-benzothiazol-2-yl)thiophene-2-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4072242
5-(1,3-benzothiazol-2-yl)-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 4731587
N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 10571376
5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 11660359
[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 23882044
5-(1,3-benzothiazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 25486926
5-(1,3-benzothiazol-2-yl)-N-[4-(4-phenylphenyl)-5-propyl-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 3346874
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
5-(1,3-benzothiazol-2-yl)-N-(4-sulfamoylphenyl)thiophene-2-carboxamide
CID 4586039

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 5147677) is 5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is MCFZHPRVURECDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrN3OS3/c20-10-5-6-12-16(9-10)27-19(22-12)23-17(24)14-7-8-15(25-14)18-21-11-3-1-2-4-13(11)26-18/h1-9H,(H,22,23,24).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 472.41 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 5147677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).