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

C18H29FN2SSn — CID 141019177

IUPAC5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cn2cnc(F)c2s1
InChIInChI=1S/C13H27.C5H2FN2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;6-4-5-8(3-7-4)1-2-9-5;/h4-12H2,1-3H3;1,3H;
InChIKeyNBOCLZURIOZQEI-UHFFFAOYSA-N
MW443.22 g/mol
LogP5.59
Rot. Bonds11

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

5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin (PubChem CID 141019177) has the molecular formula C18H29FN2SSn and a molecular weight of 443.22 g/mol. Its IUPAC name is 5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin.

Molecular Properties

Compound Name5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin
PubChem CID141019177
Molecular FormulaC18H29FN2SSn
Molecular Weight443.22 g/mol
Exact Mass444.11
IUPAC Name5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cn2cnc(F)c2s1
InChIInChI=1S/C13H27.C5H2FN2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;6-4-5-8(3-7-4)1-2-9-5;/h4-12H2,1-3H3;1,3H;
InChIKeyNBOCLZURIOZQEI-UHFFFAOYSA-N
XLogP5.59
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.22
LogP ≤ 55.59
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-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin?
The IUPAC name of 5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin (CID 141019177) is 5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin.
What is the SMILES notation for 5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin?
The canonical SMILES for 5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cn2cnc(F)c2s1.
What is the InChIKey of 5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin?
The InChIKey is NBOCLZURIOZQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C5H2FN2S.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;6-4-5-8(3-7-4)1-2-9-5;/h4-12H2,1-3H3;1,3H;.
What are the key properties of 5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin?
5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin has a molecular weight of 443.22 g/mol, XLogP of 5.59, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl-(7-fluoroimidazo[5,1-b][1,3]thiazol-2-yl)tin is sourced from PubChem (CID 141019177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).