N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide

C15H10BrN3OS2 — CID 9176526

IUPACN-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1csc(-c2cccc(Br)c2)n1)c1cccs1
InChIInChI=1S/C15H10BrN3OS2/c16-11-4-1-3-10(7-11)15-18-12(9-22-15)8-17-19-14(20)13-5-2-6-21-13/h1-9H,(H,19,20)/b17-8-
InChIKeyRAMYLNGGKMUSPX-IUXPMGMMSA-N
MW392.30 g/mol
LogP4.40
Rot. Bonds4

About N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide

N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide (PubChem CID 9176526) has the molecular formula C15H10BrN3OS2 and a molecular weight of 392.30 g/mol. Its IUPAC name is N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide
PubChem CID9176526
Molecular FormulaC15H10BrN3OS2
Molecular Weight392.30 g/mol
Exact Mass390.94
IUPAC NameN-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C\c1csc(-c2cccc(Br)c2)n1)c1cccs1
InChIInChI=1S/C15H10BrN3OS2/c16-11-4-1-3-10(7-11)15-18-12(9-22-15)8-17-19-14(20)13-5-2-6-21-13/h1-9H,(H,19,20)/b17-8-
InChIKeyRAMYLNGGKMUSPX-IUXPMGMMSA-N
XLogP4.40
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]cyclopropanecarboxamide
CID 9234450
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 50929991
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(2-thiophen-2-ylphenyl)acetamide
CID 24568091
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 5342520
N-[(4-bromo-3-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 1364490
N-[(3-bromophenyl)carbamothioyl]thiophene-2-carboxamide
CID 17099615
N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-2-carboxamide
CID 6880392
2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate
CID 7264297
N-[(E)-(2-iodophenyl)methylideneamino]thiophene-2-carboxamide
CID 6910346
N-[5-(3-bromophenyl)-1H-imidazol-2-yl]thiophene-2-carboxamide
CID 99797923
N-[(Z)-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methylideneamino]-4-methylbenzamide
CID 9175195

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide (CID 9176526) is N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide is O=C(N/N=C\c1csc(-c2cccc(Br)c2)n1)c1cccs1.
What is the InChIKey of N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide?
The InChIKey is RAMYLNGGKMUSPX-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H10BrN3OS2/c16-11-4-1-3-10(7-11)15-18-12(9-22-15)8-17-19-14(20)13-5-2-6-21-13/h1-9H,(H,19,20)/b17-8-.
What are the key properties of N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide?
N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(3-bromophenyl)-1,3-thiazol-4-yl]methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 9176526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).