[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine

C14H16BrClN2O2S — CID 103524729

IUPAC[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2scc(C)c2Cl)c(OC)c1Br
InChIInChI=1S/C14H16BrClN2O2S/c1-7-6-21-14(11(7)16)12(18-17)8-4-5-9(19-2)10(15)13(8)20-3/h4-6,12,18H,17H2,1-3H3
InChIKeyYKRGSYFVGKDQAC-UHFFFAOYSA-N
MW391.72 g/mol
LogP4.04
Rot. Bonds5

About [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine

[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine (PubChem CID 103524729) has the molecular formula C14H16BrClN2O2S and a molecular weight of 391.72 g/mol. Its IUPAC name is [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
PubChem CID103524729
Molecular FormulaC14H16BrClN2O2S
Molecular Weight391.72 g/mol
Exact Mass389.98
IUPAC Name[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2scc(C)c2Cl)c(OC)c1Br
InChIInChI=1S/C14H16BrClN2O2S/c1-7-6-21-14(11(7)16)12(18-17)8-4-5-9(19-2)10(15)13(8)20-3/h4-6,12,18H,17H2,1-3H3
InChIKeyYKRGSYFVGKDQAC-UHFFFAOYSA-N
XLogP4.04
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.72
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401428
[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682933
(3-chloro-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 103404478
[(3-chloro-4-methylthiophen-2-yl)-(2-fluorophenyl)methyl]hydrazine
CID 103408457
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 103408548
[(3-chloro-4-methylthiophen-2-yl)-isoquinolin-4-ylmethyl]hydrazine
CID 103408597
[(3-bromo-2,4-dimethoxyphenyl)-(4-iodophenyl)methyl]hydrazine
CID 103524744
[(3-bromo-2,4-dimethoxyphenyl)-pyridin-4-ylmethyl]hydrazine
CID 103524568
[(3-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376
[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 103408381
[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436227
[(3-bromo-2,4-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 103524736

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine (CID 103524729) is [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine is COc1ccc(C(NN)c2scc(C)c2Cl)c(OC)c1Br.
What is the InChIKey of [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine?
The InChIKey is YKRGSYFVGKDQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O2S/c1-7-6-21-14(11(7)16)12(18-17)8-4-5-9(19-2)10(15)13(8)20-3/h4-6,12,18H,17H2,1-3H3.
What are the key properties of [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine?
[(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine has a molecular weight of 391.72 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-4-methylthiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 103524729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).