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

C19H11N3OS3 — CID 5102836

IUPACN,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H11N3OS3/c23-17(22-19-21-12-6-2-4-8-14(12)26-19)15-9-10-16(24-15)18-20-11-5-1-3-7-13(11)25-18/h1-10H,(H,21,22,23)
InChIKeyWMUGSDKUDSTNHN-UHFFFAOYSA-N
MW393.52 g/mol
LogP5.89
Rot. Bonds3

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

N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 5102836) has the molecular formula C19H11N3OS3 and a molecular weight of 393.52 g/mol. Its IUPAC name is N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID5102836
Molecular FormulaC19H11N3OS3
Molecular Weight393.52 g/mol
Exact Mass393.01
IUPAC NameN,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(-c2nc3ccccc3s2)s1
InChIInChI=1S/C19H11N3OS3/c23-17(22-19-21-12-6-2-4-8-14(12)26-19)15-9-10-16(24-15)18-20-11-5-1-3-7-13(11)25-18/h1-10H,(H,21,22,23)
InChIKeyWMUGSDKUDSTNHN-UHFFFAOYSA-N
XLogP5.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.52
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5147677
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
5-(2-aminopyrimidin-4-yl)-N-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 11660359
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-(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-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
CID 25486926
5-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)thiophene-2-carboxamide
CID 33453322
N-(5-acetamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 46463651
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706

Frequently Asked Questions

What is the IUPAC name of N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 5102836) is N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nc2ccccc2s1)c1ccc(-c2nc3ccccc3s2)s1.
What is the InChIKey of N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is WMUGSDKUDSTNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3OS3/c23-17(22-19-21-12-6-2-4-8-14(12)26-19)15-9-10-16(24-15)18-20-11-5-1-3-7-13(11)25-18/h1-10H,(H,21,22,23).
What are the key properties of N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 393.52 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 5102836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).