N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine

C26H42N2O2SSn — CID 67003616

IUPACN-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C2(NCc3ccc(OC)cc3)COC2)s1
InChIInChI=1S/C14H15N2O2S.3C4H9.Sn/c1-17-12-4-2-11(3-5-12)8-16-14(9-18-10-14)13-15-6-7-19-13;3*1-3-4-2;/h2-6,16H,8-10H2,1H3;3*1,3-4H2,2H3;
InChIKeyGLTUNKJRNBJYAG-UHFFFAOYSA-N
MW565.41 g/mol
LogP6.22
Rot. Bonds15

About N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine

N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine (PubChem CID 67003616) has the molecular formula C26H42N2O2SSn and a molecular weight of 565.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine
PubChem CID67003616
Molecular FormulaC26H42N2O2SSn
Molecular Weight565.41 g/mol
Exact Mass566.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C2(NCc3ccc(OC)cc3)COC2)s1
InChIInChI=1S/C14H15N2O2S.3C4H9.Sn/c1-17-12-4-2-11(3-5-12)8-16-14(9-18-10-14)13-15-6-7-19-13;3*1-3-4-2;/h2-6,16H,8-10H2,1H3;3*1,3-4H2,2H3;
InChIKeyGLTUNKJRNBJYAG-UHFFFAOYSA-N
XLogP6.22
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.41
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine (CID 67003616) is N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine is CCCC[Sn](CCCC)(CCCC)c1cnc(C2(NCc3ccc(OC)cc3)COC2)s1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine?
The InChIKey is GLTUNKJRNBJYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2O2S.3C4H9.Sn/c1-17-12-4-2-11(3-5-12)8-16-14(9-18-10-14)13-15-6-7-19-13;3*1-3-4-2;/h2-6,16H,8-10H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine?
N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine has a molecular weight of 565.41 g/mol, XLogP of 6.22, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(5-tributylstannyl-1,3-thiazol-2-yl)oxetan-3-amine is sourced from PubChem (CID 67003616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).