2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate

C14H10BrN2O4S- — CID 7264297

IUPAC2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(Br)cc1/C=N\NC(=O)c1cccs1
InChIInChI=1S/C14H11BrN2O4S/c15-10-3-4-11(21-8-13(18)19)9(6-10)7-16-17-14(20)12-2-1-5-22-12/h1-7H,8H2,(H,17,20)(H,18,19)/p-1/b16-7-
InChIKeyKCSKSAXPGIGZQX-APSNUPSMSA-M
MW382.22 g/mol
LogP1.40
Rot. Bonds6

About 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate

2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate (PubChem CID 7264297) has the molecular formula C14H10BrN2O4S- and a molecular weight of 382.22 g/mol. Its IUPAC name is 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate
PubChem CID7264297
Molecular FormulaC14H10BrN2O4S-
Molecular Weight382.22 g/mol
Exact Mass380.96
IUPAC Name2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate
SMILESO=C([O-])COc1ccc(Br)cc1/C=N\NC(=O)c1cccs1
InChIInChI=1S/C14H11BrN2O4S/c15-10-3-4-11(21-8-13(18)19)9(6-10)7-16-17-14(20)12-2-1-5-22-12/h1-7H,8H2,(H,17,20)(H,18,19)/p-1/b16-7-
InChIKeyKCSKSAXPGIGZQX-APSNUPSMSA-M
XLogP1.40
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
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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Related Compounds

2-[4-bromo-2-[(Z)-[[2-(methylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989696
[4-bromo-2-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 3670568
2-[2-[[[(Z)-2-benzamido-3-phenylprop-2-enoyl]hydrazinylidene]methyl]-4-bromophenoxy]acetate
CID 2255292
N-[(Z)-(2-bromo-5-prop-2-enoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 6031492
N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]thiophene-2-carboxamide
CID 135643043
N-[(E)-(2,4-dibromo-5-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 50929991
2-[4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 19617744
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 7332805
2-[2-[(Z)-[[2-(4-bromophenyl)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 6978889
N-[(4-methoxy-2,3-dimethylphenyl)methylideneamino]thiophene-2-carboxamide
CID 4981001
2-[4-bromo-2-[(carbamothioylhydrazinylidene)methyl]phenoxy]acetic acid
CID 57368044

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate?
The IUPAC name of 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate (CID 7264297) is 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate?
The canonical SMILES for 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate is O=C([O-])COc1ccc(Br)cc1/C=N\NC(=O)c1cccs1.
What is the InChIKey of 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate?
The InChIKey is KCSKSAXPGIGZQX-APSNUPSMSA-M. The full InChI is InChI=1S/C14H11BrN2O4S/c15-10-3-4-11(21-8-13(18)19)9(6-10)7-16-17-14(20)12-2-1-5-22-12/h1-7H,8H2,(H,17,20)(H,18,19)/p-1/b16-7-.
What are the key properties of 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate?
2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate has a molecular weight of 382.22 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetate is sourced from PubChem (CID 7264297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).