2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

C19H16N4O2S — CID 97002774

IUPAC2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1sc(N)nc1C)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H16N4O2S/c1-10(22-23-18(24)17-11(2)21-19(20)26-17)16-9-14-13-6-4-3-5-12(13)7-8-15(14)25-16/h3-9H,1-2H3,(H2,20,21)(H,23,24)/b22-10+
InChIKeyDEWWOAMUVMOYJH-LSHDLFTRSA-N
MW364.43 g/mol
LogP4.09
Rot. Bonds3

About 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 97002774) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID97002774
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESC/C(=N\NC(=O)c1sc(N)nc1C)c1cc2c(ccc3ccccc32)o1
InChIInChI=1S/C19H16N4O2S/c1-10(22-23-18(24)17-11(2)21-19(20)26-17)16-9-14-13-6-4-3-5-12(13)7-8-15(14)25-16/h3-9H,1-2H3,(H2,20,21)(H,23,24)/b22-10+
InChIKeyDEWWOAMUVMOYJH-LSHDLFTRSA-N
XLogP4.09
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 97002774) is 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is C/C(=N\NC(=O)c1sc(N)nc1C)c1cc2c(ccc3ccccc32)o1.
What is the InChIKey of 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DEWWOAMUVMOYJH-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-10(22-23-18(24)17-11(2)21-19(20)26-17)16-9-14-13-6-4-3-5-12(13)7-8-15(14)25-16/h3-9H,1-2H3,(H2,20,21)(H,23,24)/b22-10+.
What are the key properties of 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-1-benzo[e][1]benzofuran-2-ylethylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97002774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).