butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin

C9H13NO2SSn — CID 167386507

IUPACbutyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin
SMILESCCCC[Sn]c1cnc(C(=O)OC)s1
InChIInChI=1S/C5H4NO2S.C4H9.Sn/c1-8-5(7)4-6-2-3-9-4;1-3-4-2;/h2H,1H3;1,3-4H2,2H3;
InChIKeyQOIYWDNIOWTWGJ-UHFFFAOYSA-N
MW317.99 g/mol
LogP1.48
Rot. Bonds5

About butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin

butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin (PubChem CID 167386507) has the molecular formula C9H13NO2SSn and a molecular weight of 317.99 g/mol. Its IUPAC name is butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin.

Molecular Properties

Compound Namebutyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin
PubChem CID167386507
Molecular FormulaC9H13NO2SSn
Molecular Weight317.99 g/mol
Exact Mass318.97
IUPAC Namebutyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin
SMILESCCCC[Sn]c1cnc(C(=O)OC)s1
InChIInChI=1S/C5H4NO2S.C4H9.Sn/c1-8-5(7)4-6-2-3-9-4;1-3-4-2;/h2H,1H3;1,3-4H2,2H3;
InChIKeyQOIYWDNIOWTWGJ-UHFFFAOYSA-N
XLogP1.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.99
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin?
The IUPAC name of butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin (CID 167386507) is butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin.
What is the SMILES notation for butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin?
The canonical SMILES for butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin is CCCC[Sn]c1cnc(C(=O)OC)s1.
What is the InChIKey of butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin?
The InChIKey is QOIYWDNIOWTWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4NO2S.C4H9.Sn/c1-8-5(7)4-6-2-3-9-4;1-3-4-2;/h2H,1H3;1,3-4H2,2H3;.
What are the key properties of butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin?
butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin has a molecular weight of 317.99 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-methoxycarbonyl-1,3-thiazol-5-yl)tin is sourced from PubChem (CID 167386507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).