N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide

C11H9BrN2OS2 — CID 6021448

IUPACN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2ccc(Br)s2)cs1
InChIInChI=1S/C11H9BrN2OS2/c1-7-4-8(6-16-7)11(15)14-13-5-9-2-3-10(12)17-9/h2-6H,1H3,(H,14,15)/b13-5-
InChIKeyINKZOHZUQSGQFZ-ACAGNQJTSA-N
MW329.24 g/mol
LogP3.64
Rot. Bonds3

About N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide

N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide (PubChem CID 6021448) has the molecular formula C11H9BrN2OS2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide
PubChem CID6021448
Molecular FormulaC11H9BrN2OS2
Molecular Weight329.24 g/mol
Exact Mass327.93
IUPAC NameN-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)N/N=C\c2ccc(Br)s2)cs1
InChIInChI=1S/C11H9BrN2OS2/c1-7-4-8(6-16-7)11(15)14-13-5-9-2-3-10(12)17-9/h2-6H,1H3,(H,14,15)/b13-5-
InChIKeyINKZOHZUQSGQFZ-ACAGNQJTSA-N
XLogP3.64
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(5-bromothiophen-2-yl)methylideneamino]-5-propylthiophene-3-carboxamide
CID 5083807
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3,5-dimethoxybenzamide
CID 6376855
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(dimethylamino)benzamide
CID 126003739
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 5404552
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]pyridine-4-carboxamide
CID 6869053
5-methyl-N-[(1-methylpyrrol-2-yl)methylideneamino]thiophene-3-carboxamide
CID 4062300
3-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681118
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 6891319
N-[(5-bromothiophen-2-yl)methylideneamino]-2-chlorobenzamide
CID 715930
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5395064
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
3-chloro-4-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 126058288

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide?
The IUPAC name of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide (CID 6021448) is N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)N/N=C\c2ccc(Br)s2)cs1.
What is the InChIKey of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide?
The InChIKey is INKZOHZUQSGQFZ-ACAGNQJTSA-N. The full InChI is InChI=1S/C11H9BrN2OS2/c1-7-4-8(6-16-7)11(15)14-13-5-9-2-3-10(12)17-9/h2-6H,1H3,(H,14,15)/b13-5-.
What are the key properties of N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide?
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 6021448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).