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

C14H20N2O3S — CID 7172298

IUPACtert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)12-15-11(8-17)9-20-12/h8-10H,4-7H2,1-3H3
InChIKeyXLGKMJFDRZHAEV-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.07
Rot. Bonds2

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

tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (PubChem CID 7172298) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
PubChem CID7172298
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nametert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2nc(C=O)cs2)CC1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)12-15-11(8-17)9-20-12/h8-10H,4-7H2,1-3H3
InChIKeyXLGKMJFDRZHAEV-UHFFFAOYSA-N
XLogP3.07
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.07
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

2-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,3-thiazole-4-carboxylic acid
CID 2795531
2-({1-[(Tert-butoxy)carbonyl]piperidin-4-yl}methyl)-1,3-thiazole-4-carboxylicacid
CID 138054099
2-({1-[(Tert-butoxy)carbonyl]piperidin-3-yl}methyl)-1,3-thiazole-4-carboxylic acid
CID 137928092
[2-(2-Methylpropyl)-1,3-thiazol-4-yl]-(1,3-oxazinan-3-yl)methanone
CID 136542934
tert-Butyl 4-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 86665269
4-Fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 87390301
Tert-butyl 2-fluoro-4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 141325459
Tert-butyl 3-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 162412080
Tert-butyl 4-[4-(difluoromethyl)thiazol-2-yl]piperidine-1-carboxylate
CID 129482060
Ethyl 2-(1-(tert-butoxycarbonyl)piperidin-4-yl)thiazole-4-carboxylate
CID 2795532
Tert-butyl 4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 44479513
4-(4-Formyl-5-methyl-thiazol-2-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 57423794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate (CID 7172298) is tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2nc(C=O)cs2)CC1.
What is the InChIKey of tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is XLGKMJFDRZHAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(2,3)19-13(18)16-6-4-10(5-7-16)12-15-11(8-17)9-20-12/h8-10H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-formyl-1,3-thiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 3.07, 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-1,3-thiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 7172298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).