tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

C15H22N2O3S — CID 57423794

IUPACtert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCc1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C=O
InChIInChI=1S/C15H22N2O3S/c1-10-12(9-18)16-13(21-10)11-5-7-17(8-6-11)14(19)20-15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyQHYDYTOTZPQETN-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.38
Rot. Bonds2

About tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (PubChem CID 57423794) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
PubChem CID57423794
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nametert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCc1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C=O
InChIInChI=1S/C15H22N2O3S/c1-10-12(9-18)16-13(21-10)11-5-7-17(8-6-11)14(19)20-15(2,3)4/h9,11H,5-8H2,1-4H3
InChIKeyQHYDYTOTZPQETN-UHFFFAOYSA-N
XLogP3.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 7172298
Tert-butyl 2-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 141325459
Tert-butyl 4-(5-formyl-4-methyl-1,3-thiazol-2-YL)piperidine-1-carboxylate
CID 4961277
Butyl 4-(5-formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 91234564
4-(5-Formyl-4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 140660522
4-(4-Formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 154163856
4-Methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate
CID 7164574
Ethyl 4-[(5-formyl-4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxylate
CID 84008676
Tert-butyl 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-oxopiperidine-1-carboxylate
CID 104928402
Ethyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 110289925
Ethyl 1-(4,5-dimethyl-1,3-thiazole-2-carbonyl)piperidine-4-carboxylate
CID 110696333
Ethyl 4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 110853966

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (CID 57423794) is tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate is Cc1sc(C2CCN(C(=O)OC(C)(C)C)CC2)nc1C=O.
What is the InChIKey of tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is QHYDYTOTZPQETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-12(9-18)16-13(21-10)11-5-7-17(8-6-11)14(19)20-15(2,3)4/h9,11H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-formyl-5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 57423794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).