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

C13H15ClN2OS — CID 103408381

IUPAC[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2scc(C)c2Cl)c1
InChIInChI=1S/C13H15ClN2OS/c1-8-7-18-13(11(8)14)12(16-15)9-4-3-5-10(6-9)17-2/h3-7,12,16H,15H2,1-2H3
InChIKeyDJFBELYYZOXMRR-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.27
Rot. Bonds4

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

[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine (PubChem CID 103408381) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is [(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine
PubChem CID103408381
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine
SMILESCOc1cccc(C(NN)c2scc(C)c2Cl)c1
InChIInChI=1S/C13H15ClN2OS/c1-8-7-18-13(11(8)14)12(16-15)9-4-3-5-10(6-9)17-2/h3-7,12,16H,15H2,1-2H3
InChIKeyDJFBELYYZOXMRR-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.27
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-chloro-4-methylthiophen-2-yl)-phenylmethyl]hydrazine
CID 103408376
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 103406915
[(3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105191567
N-[(3-chloro-4-methylthiophen-2-yl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 103406913
[(3-methoxyphenyl)-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842607
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 103408548
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206
[(3-chloro-4-methylthiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methyl]hydrazine
CID 106682933
[(3-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 103408542
[(2-fluoro-4,6-dimethylphenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 106884211
[(3-chloro-4-methylthiophen-2-yl)-(2-fluorophenyl)methyl]hydrazine
CID 103408457
[(2-bromophenyl)-(3-methoxyphenyl)methyl]hydrazine
CID 105208659

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine (CID 103408381) is [(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine is COc1cccc(C(NN)c2scc(C)c2Cl)c1.
What is the InChIKey of [(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine?
The InChIKey is DJFBELYYZOXMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-8-7-18-13(11(8)14)12(16-15)9-4-3-5-10(6-9)17-2/h3-7,12,16H,15H2,1-2H3.
What are the key properties of [(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine?
[(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine has a molecular weight of 282.80 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylthiophen-2-yl)-(3-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 103408381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).