5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin

C20H35NSSn — CID 164852946

IUPAC5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cnc(C2CCC2)s1
InChIInChI=1S/C13H27.C7H8NS.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-6(3-1)7-8-4-5-9-7;/h4-12H2,1-3H3;4,6H,1-3H2;
InChIKeySXUKRYUCGHAPQR-UHFFFAOYSA-N
MW440.29 g/mol
LogP6.47
Rot. Bonds12

About 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin

5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin (PubChem CID 164852946) has the molecular formula C20H35NSSn and a molecular weight of 440.29 g/mol. Its IUPAC name is 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin
PubChem CID164852946
Molecular FormulaC20H35NSSn
Molecular Weight440.29 g/mol
Exact Mass441.15
IUPAC Name5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cnc(C2CCC2)s1
InChIInChI=1S/C13H27.C7H8NS.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-6(3-1)7-8-4-5-9-7;/h4-12H2,1-3H3;4,6H,1-3H2;
InChIKeySXUKRYUCGHAPQR-UHFFFAOYSA-N
XLogP6.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.29
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin?
The IUPAC name of 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin (CID 164852946) is 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin.
What is the SMILES notation for 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin?
The canonical SMILES for 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cnc(C2CCC2)s1.
What is the InChIKey of 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin?
The InChIKey is SXUKRYUCGHAPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C7H8NS.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-6(3-1)7-8-4-5-9-7;/h4-12H2,1-3H3;4,6H,1-3H2;.
What are the key properties of 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin?
5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin has a molecular weight of 440.29 g/mol, XLogP of 6.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-(2-cyclobutyl-1,3-thiazol-5-yl)tin is sourced from PubChem (CID 164852946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).