tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate

C29H58N2O3SSiSn — CID 11273834

IUPACtert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C17H31N2O3SSi.3C4H9.Sn/c1-16(2,3)22-15(20)19(14-18-10-13-23-14)11-9-12-21-24(7,8)17(4,5)6;3*1-3-4-2;/h10H,9,11-12H2,1-8H3;3*1,3-4H2,2H3;
InChIKeySJVDXFDIGPCZSK-UHFFFAOYSA-N
MW661.66 g/mol
LogP9.35
Rot. Bonds16

About tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (PubChem CID 11273834) has the molecular formula C29H58N2O3SSiSn and a molecular weight of 661.66 g/mol. Its IUPAC name is tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
PubChem CID11273834
Molecular FormulaC29H58N2O3SSiSn
Molecular Weight661.66 g/mol
Exact Mass662.30
IUPAC Nametert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C17H31N2O3SSi.3C4H9.Sn/c1-16(2,3)22-15(20)19(14-18-10-13-23-14)11-9-12-21-24(7,8)17(4,5)6;3*1-3-4-2;/h10H,9,11-12H2,1-8H3;3*1,3-4H2,2H3;
InChIKeySJVDXFDIGPCZSK-UHFFFAOYSA-N
XLogP9.35
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.66
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (CID 11273834) is tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is CCCC[Sn](CCCC)(CCCC)c1cnc(N(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is SJVDXFDIGPCZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N2O3SSi.3C4H9.Sn/c1-16(2,3)22-15(20)19(14-18-10-13-23-14)11-9-12-21-24(7,8)17(4,5)6;3*1-3-4-2;/h10H,9,11-12H2,1-8H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 661.66 g/mol, XLogP of 9.35, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 11273834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).