2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

C12H10Br2N4O2S — CID 135454423

IUPAC2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H10Br2N4O2S/c1-5-10(21-12(15)17-5)11(20)18-16-4-6-2-7(13)9(19)8(14)3-6/h2-4,19H,1H3,(H2,15,17)(H,18,20)/b16-4-
InChIKeyOQJAUKCZBJWWIG-XRVIQIRUSA-N
MW434.11 g/mol
LogP3.03
Rot. Bonds3

About 2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 135454423) has the molecular formula C12H10Br2N4O2S and a molecular weight of 434.11 g/mol. Its IUPAC name is 2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID135454423
Molecular FormulaC12H10Br2N4O2S
Molecular Weight434.11 g/mol
Exact Mass431.89
IUPAC Name2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C12H10Br2N4O2S/c1-5-10(21-12(15)17-5)11(20)18-16-4-6-2-7(13)9(19)8(14)3-6/h2-4,19H,1H3,(H2,15,17)(H,18,20)/b16-4-
InChIKeyOQJAUKCZBJWWIG-XRVIQIRUSA-N
XLogP3.03
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.11
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 135454423) is 2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OQJAUKCZBJWWIG-XRVIQIRUSA-N. The full InChI is InChI=1S/C12H10Br2N4O2S/c1-5-10(21-12(15)17-5)11(20)18-16-4-6-2-7(13)9(19)8(14)3-6/h2-4,19H,1H3,(H2,15,17)(H,18,20)/b16-4-.
What are the key properties of 2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 434.11 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 135454423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).