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

C20H34N2S2Sn — CID 141019209

IUPAC5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cn2cnc(SCC)c2s1
InChIInChI=1S/C13H27.C7H7N2S2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-10-6-7-9(5-8-6)3-4-11-7;/h4-12H2,1-3H3;3,5H,2H2,1H3;
InChIKeyQWTXKKVVOOAFHB-UHFFFAOYSA-N
MW485.35 g/mol
LogP6.57
Rot. Bonds13

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

5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin (PubChem CID 141019209) has the molecular formula C20H34N2S2Sn and a molecular weight of 485.35 g/mol. Its IUPAC name is 5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin
PubChem CID141019209
Molecular FormulaC20H34N2S2Sn
Molecular Weight485.35 g/mol
Exact Mass486.12
IUPAC Name5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cn2cnc(SCC)c2s1
InChIInChI=1S/C13H27.C7H7N2S2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-10-6-7-9(5-8-6)3-4-11-7;/h4-12H2,1-3H3;3,5H,2H2,1H3;
InChIKeyQWTXKKVVOOAFHB-UHFFFAOYSA-N
XLogP6.57
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.35
LogP ≤ 56.57
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-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin?
The IUPAC name of 5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin (CID 141019209) is 5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin.
What is the SMILES notation for 5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin?
The canonical SMILES for 5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cn2cnc(SCC)c2s1.
What is the InChIKey of 5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin?
The InChIKey is QWTXKKVVOOAFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C7H7N2S2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-10-6-7-9(5-8-6)3-4-11-7;/h4-12H2,1-3H3;3,5H,2H2,1H3;.
What are the key properties of 5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin?
5-butylnonan-5-yl-(7-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin has a molecular weight of 485.35 g/mol, XLogP of 6.57, 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-ethylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)tin is sourced from PubChem (CID 141019209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).