5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin

C21H36N2S2Sn — CID 141019167

IUPAC5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cn2cnc(SC(C)C)c2s1
InChIInChI=1S/C13H27.C8H9N2S2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-6(2)12-7-8-10(5-9-7)3-4-11-8;/h4-12H2,1-3H3;3,5-6H,1-2H3;
InChIKeyWEGOZPXQLWSAKF-UHFFFAOYSA-N
MW499.38 g/mol
LogP6.96
Rot. Bonds13

About 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin

5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin (PubChem CID 141019167) has the molecular formula C21H36N2S2Sn and a molecular weight of 499.38 g/mol. Its IUPAC name is 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin
PubChem CID141019167
Molecular FormulaC21H36N2S2Sn
Molecular Weight499.38 g/mol
Exact Mass500.13
IUPAC Name5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cn2cnc(SC(C)C)c2s1
InChIInChI=1S/C13H27.C8H9N2S2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-6(2)12-7-8-10(5-9-7)3-4-11-8;/h4-12H2,1-3H3;3,5-6H,1-2H3;
InChIKeyWEGOZPXQLWSAKF-UHFFFAOYSA-N
XLogP6.96
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.38
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin?
The IUPAC name of 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin (CID 141019167) is 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin.
What is the SMILES notation for 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin?
The canonical SMILES for 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cn2cnc(SC(C)C)c2s1.
What is the InChIKey of 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin?
The InChIKey is WEGOZPXQLWSAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C8H9N2S2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-6(2)12-7-8-10(5-9-7)3-4-11-8;/h4-12H2,1-3H3;3,5-6H,1-2H3;.
What are the key properties of 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin?
5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin has a molecular weight of 499.38 g/mol, XLogP of 6.96, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-(7-propan-2-ylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin is sourced from PubChem (CID 141019167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).