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

C21H34N2OS2Sn — CID 141019175

IUPAC(5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cn2c(C(C)=O)nc(SC)c2s1
InChIInChI=1S/C13H27.C8H7N2OS2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5(11)6-9-7(12-2)8-10(6)3-4-13-8;/h4-12H2,1-3H3;3H,1-2H3;
InChIKeyYQQCJZBVEHZSRZ-UHFFFAOYSA-N
MW513.36 g/mol
LogP6.38
Rot. Bonds13

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

(5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin (PubChem CID 141019175) has the molecular formula C21H34N2OS2Sn and a molecular weight of 513.36 g/mol. Its IUPAC name is (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin.

Molecular Properties

Compound Name(5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin
PubChem CID141019175
Molecular FormulaC21H34N2OS2Sn
Molecular Weight513.36 g/mol
Exact Mass514.11
IUPAC Name(5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin
SMILESCCCCC(CCCC)(CCCC)[Sn]c1cn2c(C(C)=O)nc(SC)c2s1
InChIInChI=1S/C13H27.C8H7N2OS2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5(11)6-9-7(12-2)8-10(6)3-4-13-8;/h4-12H2,1-3H3;3H,1-2H3;
InChIKeyYQQCJZBVEHZSRZ-UHFFFAOYSA-N
XLogP6.38
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.36
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin?
The IUPAC name of (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin (CID 141019175) is (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin.
What is the SMILES notation for (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin?
The canonical SMILES for (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin is CCCCC(CCCC)(CCCC)[Sn]c1cn2c(C(C)=O)nc(SC)c2s1.
What is the InChIKey of (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin?
The InChIKey is YQQCJZBVEHZSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27.C8H7N2OS2.Sn/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-5(11)6-9-7(12-2)8-10(6)3-4-13-8;/h4-12H2,1-3H3;3H,1-2H3;.
What are the key properties of (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin?
(5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin has a molecular weight of 513.36 g/mol, XLogP of 6.38, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-7-methylsulfanylimidazo[5,1-b][1,3]thiazol-2-yl)-(5-butylnonan-5-yl)tin is sourced from PubChem (CID 141019175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).