1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol

C19H35NOSSn — CID 67003630

IUPAC1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C2(O)CCC2)s1
InChIInChI=1S/C7H8NOS.3C4H9.Sn/c9-7(2-1-3-7)6-8-4-5-10-6;3*1-3-4-2;/h4,9H,1-3H2;3*1,3-4H2,2H3;
InChIKeyALONONKTVXLJCJ-UHFFFAOYSA-N
MW444.27 g/mol
LogP5.57
Rot. Bonds11

About 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol

1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol (PubChem CID 67003630) has the molecular formula C19H35NOSSn and a molecular weight of 444.27 g/mol. Its IUPAC name is 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol
PubChem CID67003630
Molecular FormulaC19H35NOSSn
Molecular Weight444.27 g/mol
Exact Mass445.15
IUPAC Name1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C2(O)CCC2)s1
InChIInChI=1S/C7H8NOS.3C4H9.Sn/c9-7(2-1-3-7)6-8-4-5-10-6;3*1-3-4-2;/h4,9H,1-3H2;3*1,3-4H2,2H3;
InChIKeyALONONKTVXLJCJ-UHFFFAOYSA-N
XLogP5.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.27
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol?
The IUPAC name of 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol (CID 67003630) is 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol?
The canonical SMILES for 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol is CCCC[Sn](CCCC)(CCCC)c1cnc(C2(O)CCC2)s1.
What is the InChIKey of 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol?
The InChIKey is ALONONKTVXLJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NOS.3C4H9.Sn/c9-7(2-1-3-7)6-8-4-5-10-6;3*1-3-4-2;/h4,9H,1-3H2;3*1,3-4H2,2H3;.
What are the key properties of 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol?
1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol has a molecular weight of 444.27 g/mol, XLogP of 5.57, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tributylstannyl-1,3-thiazol-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 67003630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).