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

C23H44N2O2SSn — CID 58207969

IUPACtert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(C(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C11H17N2O2S.3C4H9.Sn/c1-8(2)13(9-12-6-7-16-9)10(14)15-11(3,4)5;3*1-3-4-2;/h6,8H,1-5H3;3*1,3-4H2,2H3;
InChIKeyBFPCWSIKYQGONT-UHFFFAOYSA-N
MW531.40 g/mol
LogP7.35
Rot. Bonds12

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

tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (PubChem CID 58207969) has the molecular formula C23H44N2O2SSn and a molecular weight of 531.40 g/mol. Its IUPAC name is tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
PubChem CID58207969
Molecular FormulaC23H44N2O2SSn
Molecular Weight531.40 g/mol
Exact Mass532.21
IUPAC Nametert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N(C(=O)OC(C)(C)C)C(C)C)s1
InChIInChI=1S/C11H17N2O2S.3C4H9.Sn/c1-8(2)13(9-12-6-7-16-9)10(14)15-11(3,4)5;3*1-3-4-2;/h6,8H,1-5H3;3*1,3-4H2,2H3;
InChIKeyBFPCWSIKYQGONT-UHFFFAOYSA-N
XLogP7.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.40
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (CID 58207969) is tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is CCCC[Sn](CCCC)(CCCC)c1cnc(N(C(=O)OC(C)(C)C)C(C)C)s1.
What is the InChIKey of tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is BFPCWSIKYQGONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2O2S.3C4H9.Sn/c1-8(2)13(9-12-6-7-16-9)10(14)15-11(3,4)5;3*1-3-4-2;/h6,8H,1-5H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 531.40 g/mol, XLogP of 7.35, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-yl-N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 58207969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).