[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine

C11H12ClN3S2 — CID 114791897

IUPAC[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CSCc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H12ClN3S2/c12-9-3-1-8(2-4-9)6-16-7-10-5-14-11(15-13)17-10/h1-5H,6-7,13H2,(H,14,15)
InChIKeyLNOOWJIAWHCLTC-UHFFFAOYSA-N
MW285.83 g/mol
LogP3.52
Rot. Bonds5

About [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine

[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 114791897) has the molecular formula C11H12ClN3S2 and a molecular weight of 285.83 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID114791897
Molecular FormulaC11H12ClN3S2
Molecular Weight285.83 g/mol
Exact Mass285.02
IUPAC Name[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CSCc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H12ClN3S2/c12-9-3-1-8(2-4-9)6-16-7-10-5-14-11(15-13)17-10/h1-5H,6-7,13H2,(H,14,15)
InChIKeyLNOOWJIAWHCLTC-UHFFFAOYSA-N
XLogP3.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.83
LogP ≤ 53.52
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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Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine (CID 114791897) is [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(CSCc2ccc(Cl)cc2)s1.
What is the InChIKey of [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is LNOOWJIAWHCLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S2/c12-9-3-1-8(2-4-9)6-16-7-10-5-14-11(15-13)17-10/h1-5H,6-7,13H2,(H,14,15).
What are the key properties of [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 285.83 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 114791897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).