tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate

C21H40N2O2SSn — CID 15461517

IUPACtert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C9H13N2O2S.3C4H9.Sn/c1-9(2,3)13-8(12)11(4)7-10-5-6-14-7;3*1-3-4-2;/h5H,1-4H3;3*1,3-4H2,2H3;
InChIKeyPMRYNCAZZRQRLT-UHFFFAOYSA-N
MW503.34 g/mol
LogP6.57
Rot. Bonds11

About tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate

tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (PubChem CID 15461517) has the molecular formula C21H40N2O2SSn and a molecular weight of 503.34 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
PubChem CID15461517
Molecular FormulaC21H40N2O2SSn
Molecular Weight503.34 g/mol
Exact Mass504.18
IUPAC Nametert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(C)C(=O)OC(C)(C)C)s1
InChIInChI=1S/C9H13N2O2S.3C4H9.Sn/c1-9(2,3)13-8(12)11(4)7-10-5-6-14-7;3*1-3-4-2;/h5H,1-4H3;3*1,3-4H2,2H3;
InChIKeyPMRYNCAZZRQRLT-UHFFFAOYSA-N
XLogP6.57
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.34
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (CID 15461517) is tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is CCCC[Sn](CCCC)(CCCC)c1cnc(N(C)C(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is PMRYNCAZZRQRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O2S.3C4H9.Sn/c1-9(2,3)13-8(12)11(4)7-10-5-6-14-7;3*1-3-4-2;/h5H,1-4H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 503.34 g/mol, XLogP of 6.57, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 15461517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).