1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one

C19H34N2OSSn — CID 59694006

IUPAC1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N2CCCC2=O)s1
InChIInChI=1S/C7H7N2OS.3C4H9.Sn/c10-6-2-1-4-9(6)7-8-3-5-11-7;3*1-3-4-2;/h3H,1-2,4H2;3*1,3-4H2,2H3;
InChIKeyQDJOFERLCZWTAH-UHFFFAOYSA-N
MW457.27 g/mol
LogP5.33
Rot. Bonds11

About 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one

1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 59694006) has the molecular formula C19H34N2OSSn and a molecular weight of 457.27 g/mol. Its IUPAC name is 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID59694006
Molecular FormulaC19H34N2OSSn
Molecular Weight457.27 g/mol
Exact Mass458.14
IUPAC Name1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(N2CCCC2=O)s1
InChIInChI=1S/C7H7N2OS.3C4H9.Sn/c10-6-2-1-4-9(6)7-8-3-5-11-7;3*1-3-4-2;/h3H,1-2,4H2;3*1,3-4H2,2H3;
InChIKeyQDJOFERLCZWTAH-UHFFFAOYSA-N
XLogP5.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.27
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiazol-2-yl)pyrrolidin-2-one
CID 574609
1-(5-Bromo-1,3-thiazol-2-yl)pyrrolidine-2,5-dione
CID 50987374
3-Fluoro-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 175506869
1-(5-Methyl-2-thiazolyl)-2-pyrrolidinone
CID 59693777
1-(5-Bromo-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 78911639
CID 87288357
CID 87288357
1-(5-Stannyl-1,3-thiazol-2-yl)pyrrolidin-2-one
CID 159009177
N-methyl-N-(5-tributylstannyl-1,3-thiazol-2-yl)acetamide
CID 164731146
[2-(2-Oxopyrrolidin-1-yl)-1,3-thiazol-5-yl]-lambda2-stannane
CID 173049698
1-(5-Bromo-1,3-thiazol-2-yl)-3-methylpyrrolidine-2,5-dione
CID 61036931
1-(5-Bromo-1,3-thiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298731
1-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 66521471

Frequently Asked Questions

What is the IUPAC name of 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one (CID 59694006) is 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one is CCCC[Sn](CCCC)(CCCC)c1cnc(N2CCCC2=O)s1.
What is the InChIKey of 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is QDJOFERLCZWTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2OS.3C4H9.Sn/c10-6-2-1-4-9(6)7-8-3-5-11-7;3*1-3-4-2;/h3H,1-2,4H2;3*1,3-4H2,2H3;.
What are the key properties of 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 457.27 g/mol, XLogP of 5.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tributylstannyl-1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 59694006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).