2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide

C19H14BrN3O2S — CID 24822016

IUPAC2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1sc(Nc2ccc3occc3c2)nc1Br
InChIInChI=1S/C19H14BrN3O2S/c20-17-16(18(24)21-11-12-4-2-1-3-5-12)26-19(23-17)22-14-6-7-15-13(10-14)8-9-25-15/h1-10H,11H2,(H,21,24)(H,22,23)
InChIKeyZLCKZINXYIPOMU-UHFFFAOYSA-N
MW428.31 g/mol
LogP5.33
Rot. Bonds5

About 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide

2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide (PubChem CID 24822016) has the molecular formula C19H14BrN3O2S and a molecular weight of 428.31 g/mol. Its IUPAC name is 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide
PubChem CID24822016
Molecular FormulaC19H14BrN3O2S
Molecular Weight428.31 g/mol
Exact Mass427.00
IUPAC Name2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1sc(Nc2ccc3occc3c2)nc1Br
InChIInChI=1S/C19H14BrN3O2S/c20-17-16(18(24)21-11-12-4-2-1-3-5-12)26-19(23-17)22-14-6-7-15-13(10-14)8-9-25-15/h1-10H,11H2,(H,21,24)(H,22,23)
InChIKeyZLCKZINXYIPOMU-UHFFFAOYSA-N
XLogP5.33
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.31
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzofuran-5-ylamino)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 87824272
2-(benzenesulfonyl)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide
CID 24821752
2-(4-bromoanilino)-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24821892
4-amino-N-benzyl-2-(tert-butylamino)-1,3-thiazole-5-carboxamide
CID 116668033
N-benzyl-2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxamide
CID 5140917
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
N-benzyl-4-methyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 1468268
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
N-[(4-acetamidophenyl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 24628898
N-benzyl-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109303869
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide (CID 24822016) is 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide is O=C(NCc1ccccc1)c1sc(Nc2ccc3occc3c2)nc1Br.
What is the InChIKey of 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide?
The InChIKey is ZLCKZINXYIPOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3O2S/c20-17-16(18(24)21-11-12-4-2-1-3-5-12)26-19(23-17)22-14-6-7-15-13(10-14)8-9-25-15/h1-10H,11H2,(H,21,24)(H,22,23).
What are the key properties of 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide?
2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide has a molecular weight of 428.31 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-ylamino)-N-benzyl-4-bromo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24822016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).