[5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine

C9H17N3S2 — CID 107756782

IUPAC[5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
SMILESCC(C)CCSCc1cnc(NN)s1
InChIInChI=1S/C9H17N3S2/c1-7(2)3-4-13-6-8-5-11-9(12-10)14-8/h5,7H,3-4,6,10H2,1-2H3,(H,11,12)
InChIKeyJBLFIJSFGJIVJN-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.71
Rot. Bonds6

About [5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine

[5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine (PubChem CID 107756782) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is [5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
PubChem CID107756782
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC Name[5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
SMILESCC(C)CCSCc1cnc(NN)s1
InChIInChI=1S/C9H17N3S2/c1-7(2)3-4-13-6-8-5-11-9(12-10)14-8/h5,7H,3-4,6,10H2,1-2H3,(H,11,12)
InChIKeyJBLFIJSFGJIVJN-UHFFFAOYSA-N
XLogP2.71
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine (CID 107756782) is [5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine is CC(C)CCSCc1cnc(NN)s1.
What is the InChIKey of [5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine?
The InChIKey is JBLFIJSFGJIVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-7(2)3-4-13-6-8-5-11-9(12-10)14-8/h5,7H,3-4,6,10H2,1-2H3,(H,11,12).
What are the key properties of [5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine?
[5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine has a molecular weight of 231.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylbutylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 107756782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).