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

C13H20N2O2S — CID 69207926

IUPACbutyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-3-9-17-13(16)15-7-4-11(5-8-15)12-14-6-10-18-12/h6,10-11H,2-5,7-9H2,1H3
InChIKeyRGJQXSISOFQJCP-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.26
Rot. Bonds4

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

butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate (PubChem CID 69207926) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate
PubChem CID69207926
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Namebutyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2nccs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-3-9-17-13(16)15-7-4-11(5-8-15)12-14-6-10-18-12/h6,10-11H,2-5,7-9H2,1H3
InChIKeyRGJQXSISOFQJCP-UHFFFAOYSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3235317
Ethyl 4-(2-thiazolyl)[1,4'-bipiperidine]-1'-carboxylate
CID 78318313
US10030012, Example 26
CID 78318932
Tert-butyl 4-(5-bromo-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 58180056
Methyl 9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3234369
[(E)-1-(1,3-thiazol-2-yl)ethylideneamino] piperidine-1-carboxylate
CID 44521939
2-Ethoxy-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110114323
1-[4-(1,3-Thiazol-2-yl)piperidin-1-yl]butan-1-one
CID 71683906
ethyl 4-[[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]amino]piperidine-1-carboxylate
CID 97611339
4-Fluoro-4-thiazol-2-yl-piperidine-1-carboxylic acid tert-butyl ester
CID 57423797
4-Fluoro-4-(1,3-thiazol-2-yl)piperidine-1-carboxylic acid
CID 123247113
tert-butyl (3R)-3-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]piperidine-1-carboxylate
CID 92423315

Frequently Asked Questions

What is the IUPAC name of butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate (CID 69207926) is butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate is CCCCOC(=O)N1CCC(c2nccs2)CC1.
What is the InChIKey of butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is RGJQXSISOFQJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-3-9-17-13(16)15-7-4-11(5-8-15)12-14-6-10-18-12/h6,10-11H,2-5,7-9H2,1H3.
What are the key properties of butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(1,3-thiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 69207926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).