[(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate

C10H6Br2N2O2S2 — CID 19296359

IUPAC[(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate
SMILESN/C(=N\OC(=O)c1cc(Br)c(Br)s1)c1cccs1
InChIInChI=1S/C10H6Br2N2O2S2/c11-5-4-7(18-8(5)12)10(15)16-14-9(13)6-2-1-3-17-6/h1-4H,(H2,13,14)
InChIKeyIFAZDJSDCBAJLO-UHFFFAOYSA-N
MW410.11 g/mol
LogP3.81
Rot. Bonds3

About [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate

[(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate (PubChem CID 19296359) has the molecular formula C10H6Br2N2O2S2 and a molecular weight of 410.11 g/mol. Its IUPAC name is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate.

Molecular Properties

Compound Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate
PubChem CID19296359
Molecular FormulaC10H6Br2N2O2S2
Molecular Weight410.11 g/mol
Exact Mass407.82
IUPAC Name[(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate
SMILESN/C(=N\OC(=O)c1cc(Br)c(Br)s1)c1cccs1
InChIInChI=1S/C10H6Br2N2O2S2/c11-5-4-7(18-8(5)12)10(15)16-14-9(13)6-2-1-3-17-6/h1-4H,(H2,13,14)
InChIKeyIFAZDJSDCBAJLO-UHFFFAOYSA-N
XLogP3.81
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino(phenyl)methylidene]amino] thiophene-2-carboxylate
CID 5332740
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 2-methylbenzoate
CID 19324371
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-methoxybenzoate
CID 19296282
[(E)-[amino-(2-chlorophenyl)methylidene]amino] thiophene-2-carboxylate
CID 6088369
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 3-(trifluoromethyl)benzoate
CID 19324303
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 1,5-dimethylpyrazole-4-carboxylate
CID 19296300
[[amino(thiophen-2-yl)methylidene]amino] 5-chloro-4-methoxythiophene-3-carboxylate
CID 2819013
[[amino-(3-pyrrol-1-ylphenyl)methylidene]amino] thiophene-2-carboxylate
CID 2797600
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 1-ethylpyrazole-4-carboxylate
CID 19296308
N-[amino(thiophen-2-yl)methylidene]thiophene-2-carboxamide
CID 2746671
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741
[(Z)-1-thiophen-2-ylethylideneamino] 3-bromo-4-methylbenzoate
CID 6233145

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate?
The IUPAC name of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate (CID 19296359) is [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate.
What is the SMILES notation for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate?
The canonical SMILES for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate is N/C(=N\OC(=O)c1cc(Br)c(Br)s1)c1cccs1.
What is the InChIKey of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate?
The InChIKey is IFAZDJSDCBAJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2O2S2/c11-5-4-7(18-8(5)12)10(15)16-14-9(13)6-2-1-3-17-6/h1-4H,(H2,13,14).
What are the key properties of [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate?
[(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate has a molecular weight of 410.11 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(thiophen-2-yl)methylidene]amino] 4,5-dibromothiophene-2-carboxylate is sourced from PubChem (CID 19296359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).