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

C20H34N2SSn — CID 141001315

IUPAC5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1c(CC)sc2cncn12
InChIInChI=1S/C13H27.C7H7N2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-6-4-9-5-8-3-7(9)10-6;/h4-12H2,1-3H3;3,5H,2H2,1H3;
InChIKeyPWTWTNRWZNPBCD-UHFFFAOYSA-N
MW453.28 g/mol
LogP6.02
Rot. Bonds12

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

5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin (PubChem CID 141001315) has the molecular formula C20H34N2SSn and a molecular weight of 453.28 g/mol. Its IUPAC name is 5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin
PubChem CID141001315
Molecular FormulaC20H34N2SSn
Molecular Weight453.28 g/mol
Exact Mass454.15
IUPAC Name5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1c(CC)sc2cncn12
InChIInChI=1S/C13H27.C7H7N2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-6-4-9-5-8-3-7(9)10-6;/h4-12H2,1-3H3;3,5H,2H2,1H3;
InChIKeyPWTWTNRWZNPBCD-UHFFFAOYSA-N
XLogP6.02
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.28
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin?
The IUPAC name of 5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin (CID 141001315) is 5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin.
What is the SMILES notation for 5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin?
The canonical SMILES for 5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1c(CC)sc2cncn12.
What is the InChIKey of 5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin?
The InChIKey is PWTWTNRWZNPBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C7H7N2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-6-4-9-5-8-3-7(9)10-6;/h4-12H2,1-3H3;3,5H,2H2,1H3;.
What are the key properties of 5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin?
5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin has a molecular weight of 453.28 g/mol, XLogP of 6.02, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)tin is sourced from PubChem (CID 141001315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).