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

C19H36N2O2SSn — CID 44630562

IUPACpropan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(NC(=O)OC(C)C)s1
InChIInChI=1S/C7H9N2O2S.3C4H9.Sn/c1-5(2)11-7(10)9-6-8-3-4-12-6;3*1-3-4-2;/h3,5H,1-2H3,(H,8,9,10);3*1,3-4H2,2H3;
InChIKeyIWMHUDUYTCIEKV-UHFFFAOYSA-N
MW475.29 g/mol
LogP6.16
Rot. Bonds12

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

propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (PubChem CID 44630562) has the molecular formula C19H36N2O2SSn and a molecular weight of 475.29 g/mol. Its IUPAC name is propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
PubChem CID44630562
Molecular FormulaC19H36N2O2SSn
Molecular Weight475.29 g/mol
Exact Mass476.15
IUPAC Namepropan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(NC(=O)OC(C)C)s1
InChIInChI=1S/C7H9N2O2S.3C4H9.Sn/c1-5(2)11-7(10)9-6-8-3-4-12-6;3*1-3-4-2;/h3,5H,1-2H3,(H,8,9,10);3*1,3-4H2,2H3;
InChIKeyIWMHUDUYTCIEKV-UHFFFAOYSA-N
XLogP6.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.29
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate (CID 44630562) is propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is CCCC[Sn](CCCC)(CCCC)c1cnc(NC(=O)OC(C)C)s1.
What is the InChIKey of propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
The InChIKey is IWMHUDUYTCIEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2O2S.3C4H9.Sn/c1-5(2)11-7(10)9-6-8-3-4-12-6;3*1-3-4-2;/h3,5H,1-2H3,(H,8,9,10);3*1,3-4H2,2H3;.
What are the key properties of propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate?
propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate has a molecular weight of 475.29 g/mol, XLogP of 6.16, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(5-tributylstannyl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 44630562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).