[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine

C17H21ClN2S — CID 107562528

IUPAC[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc3c(s2)CCCCC3)cc1Cl
InChIInChI=1S/C17H21ClN2S/c1-11-7-8-13(9-14(11)18)17(20-19)16-10-12-5-3-2-4-6-15(12)21-16/h7-10,17,20H,2-6,19H2,1H3
InChIKeyYEYYAFQKXHJURO-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.53
Rot. Bonds3

About [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine

[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine (PubChem CID 107562528) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
PubChem CID107562528
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc3c(s2)CCCCC3)cc1Cl
InChIInChI=1S/C17H21ClN2S/c1-11-7-8-13(9-14(11)18)17(20-19)16-10-12-5-3-2-4-6-15(12)21-16/h7-10,17,20H,2-6,19H2,1H3
InChIKeyYEYYAFQKXHJURO-UHFFFAOYSA-N
XLogP4.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 107562677
(3-chloro-4-methylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 107561932
[(3-chloro-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 107562559
[(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105287303
[4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312827
[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 105320479
[(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
CID 107562588
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(3-ethylphenyl)methyl]hydrazine
CID 105326278
[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propoxyphenyl)methyl]hydrazine
CID 105303655
[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105328328
[(2-fluoro-4,6-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 106884546
N-[(4-chlorophenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 43494735

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine (CID 107562528) is [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine is Cc1ccc(C(NN)c2cc3c(s2)CCCCC3)cc1Cl.
What is the InChIKey of [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine?
The InChIKey is YEYYAFQKXHJURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-11-7-8-13(9-14(11)18)17(20-19)16-10-12-5-3-2-4-6-15(12)21-16/h7-10,17,20H,2-6,19H2,1H3.
What are the key properties of [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine?
[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine has a molecular weight of 320.89 g/mol, XLogP of 4.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 107562528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).