[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine

C12H13ClN2OS — CID 105286186

IUPAC[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2sccc2Cl)cc1
InChIInChI=1S/C12H13ClN2OS/c1-16-9-4-2-8(3-5-9)11(15-14)12-10(13)6-7-17-12/h2-7,11,15H,14H2,1H3
InChIKeyPXNGPHKGTMBXGL-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.96
Rot. Bonds4

About [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine

[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine (PubChem CID 105286186) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine
PubChem CID105286186
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)c2sccc2Cl)cc1
InChIInChI=1S/C12H13ClN2OS/c1-16-9-4-2-8(3-5-9)11(15-14)12-10(13)6-7-17-12/h2-7,11,15H,14H2,1H3
InChIKeyPXNGPHKGTMBXGL-UHFFFAOYSA-N
XLogP2.96
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 80529927
[(3-chlorothiophen-2-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 107362142
2-[bromo-(4-methoxyphenyl)methyl]-3-chlorothiophene
CID 80531532
[(3-chlorothiophen-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286685
1-(3-chlorothiophen-2-yl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122131
[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436227
[(3-chlorothiophen-2-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 107362226
[(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 107362326
[(3-chlorothiophen-2-yl)-(6-methoxypyrimidin-4-yl)methyl]hydrazine
CID 107362215
[(3-chlorothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 107362343
[(3-chlorothiophen-2-yl)-(3-iodophenyl)methyl]hydrazine
CID 107362239
[(3-bromo-4-chlorophenyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105260984

Frequently Asked Questions

What is the IUPAC name of [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine (CID 105286186) is [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)c2sccc2Cl)cc1.
What is the InChIKey of [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine?
The InChIKey is PXNGPHKGTMBXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-16-9-4-2-8(3-5-9)11(15-14)12-10(13)6-7-17-12/h2-7,11,15H,14H2,1H3.
What are the key properties of [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine?
[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine has a molecular weight of 268.77 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105286186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).