5-tributylstannyl-1,3-thiazole-2-carbaldehyde

C16H29NOSSn — CID 46840020

IUPAC5-tributylstannyl-1,3-thiazole-2-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C=O)s1
InChIInChI=1S/C4H2NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKeyPRZCOGNDYJLLBS-UHFFFAOYSA-N
MW402.19 g/mol
LogP5.01
Rot. Bonds11

About 5-tributylstannyl-1,3-thiazole-2-carbaldehyde

5-tributylstannyl-1,3-thiazole-2-carbaldehyde (PubChem CID 46840020) has the molecular formula C16H29NOSSn and a molecular weight of 402.19 g/mol. Its IUPAC name is 5-tributylstannyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-tributylstannyl-1,3-thiazole-2-carbaldehyde
PubChem CID46840020
Molecular FormulaC16H29NOSSn
Molecular Weight402.19 g/mol
Exact Mass403.10
IUPAC Name5-tributylstannyl-1,3-thiazole-2-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C=O)s1
InChIInChI=1S/C4H2NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;
InChIKeyPRZCOGNDYJLLBS-UHFFFAOYSA-N
XLogP5.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.19
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-1,3-thiazole-2-carbaldehyde
CID 26370427
2-Methyl-5-(tributylstannyl)-1,3-thiazole
CID 46840005
5-Iodo-1,3-thiazole-2-carbaldehyde
CID 66223256
1-(5-Tributylstannyl-1,3-thiazol-2-yl)ethanone
CID 10409630
5-(Trimethylsilyl)thiazole-2-carboxaldehyde
CID 18785782
Methyl 5-(tributylstannyl)thiazole-2-carboxylate
CID 46840006
5-(Dimethylamino)-1,3-thiazole-2-carbaldehyde
CID 139671541
5-[Butyl(methyl)amino]-1,3-thiazole-2-carbaldehyde
CID 139758906
5-Tributylstannyl-1,3-thiazole-2-carboxamide
CID 140028474
Butane;1,3-thiazole-2-carbaldehyde
CID 141915854
Ethane;1,3-thiazole-2-carbaldehyde
CID 142180566
Methoxyethane;1,3-thiazole-2-carbaldehyde
CID 143844675

Frequently Asked Questions

What is the IUPAC name of 5-tributylstannyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-tributylstannyl-1,3-thiazole-2-carbaldehyde (CID 46840020) is 5-tributylstannyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-tributylstannyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-tributylstannyl-1,3-thiazole-2-carbaldehyde is CCCC[Sn](CCCC)(CCCC)c1cnc(C=O)s1.
What is the InChIKey of 5-tributylstannyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is PRZCOGNDYJLLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2NOS.3C4H9.Sn/c6-3-4-5-1-2-7-4;3*1-3-4-2;/h1,3H;3*1,3-4H2,2H3;.
What are the key properties of 5-tributylstannyl-1,3-thiazole-2-carbaldehyde?
5-tributylstannyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 402.19 g/mol, XLogP of 5.01, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tributylstannyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 46840020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).