[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine

C11H11Cl2N3S — CID 105301689

IUPAC[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
SMILESCc1nc(C(NN)c2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C11H11Cl2N3S/c1-6-15-9(5-17-6)11(16-14)7-3-2-4-8(12)10(7)13/h2-5,11,16H,14H2,1H3
InChIKeyJRKULTSDAILUSO-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.31
Rot. Bonds3

About [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine

[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine (PubChem CID 105301689) has the molecular formula C11H11Cl2N3S and a molecular weight of 288.20 g/mol. Its IUPAC name is [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
PubChem CID105301689
Molecular FormulaC11H11Cl2N3S
Molecular Weight288.20 g/mol
Exact Mass287.01
IUPAC Name[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
SMILESCc1nc(C(NN)c2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C11H11Cl2N3S/c1-6-15-9(5-17-6)11(16-14)7-3-2-4-8(12)10(7)13/h2-5,11,16H,14H2,1H3
InChIKeyJRKULTSDAILUSO-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine?
The IUPAC name of [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine (CID 105301689) is [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine is Cc1nc(C(NN)c2cccc(Cl)c2Cl)cs1.
What is the InChIKey of [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine?
The InChIKey is JRKULTSDAILUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S/c1-6-15-9(5-17-6)11(16-14)7-3-2-4-8(12)10(7)13/h2-5,11,16H,14H2,1H3.
What are the key properties of [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine?
[(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine has a molecular weight of 288.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-dichlorophenyl)-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105301689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).