N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

C19H11N3O2S2 — CID 8718110

IUPACN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc2ccccc2o1
InChIInChI=1S/C19H11N3O2S2/c23-17(15-9-11-5-1-3-7-14(11)24-15)22-19-21-13(10-25-19)18-20-12-6-2-4-8-16(12)26-18/h1-10H,(H,21,22,23)
InChIKeyBRCICRGTSGYHRA-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.42
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 8718110) has the molecular formula C19H11N3O2S2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID8718110
Molecular FormulaC19H11N3O2S2
Molecular Weight377.45 g/mol
Exact Mass377.03
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc2ccccc2o1
InChIInChI=1S/C19H11N3O2S2/c23-17(15-9-11-5-1-3-7-14(11)24-15)22-19-21-13(10-25-19)18-20-12-6-2-4-8-16(12)26-18/h1-10H,(H,21,22,23)
InChIKeyBRCICRGTSGYHRA-UHFFFAOYSA-N
XLogP5.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718070
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 4673623
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4132474
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2715669
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 46629048
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110481
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 51263111
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
4-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55548782
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2676581
N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-1-benzofuran-2-carboxamide
CID 4296937

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 8718110) is N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is BRCICRGTSGYHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2S2/c23-17(15-9-11-5-1-3-7-14(11)24-15)22-19-21-13(10-25-19)18-20-12-6-2-4-8-16(12)26-18/h1-10H,(H,21,22,23).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8718110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).