ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate

C15H25N3O2S — CID 97056254

IUPACethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H](CC)c2nc(C)cs2)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-13(14-16-11(3)10-21-14)17-12-6-8-18(9-7-12)15(19)20-5-2/h10,12-13,17H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyVXBRAMRLCGSNRL-ZDUSSCGKSA-N
MW311.45 g/mol
LogP3.11
Rot. Bonds5

About ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate

ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate (PubChem CID 97056254) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
PubChem CID97056254
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N[C@@H](CC)c2nc(C)cs2)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-13(14-16-11(3)10-21-14)17-12-6-8-18(9-7-12)15(19)20-5-2/h10,12-13,17H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyVXBRAMRLCGSNRL-ZDUSSCGKSA-N
XLogP3.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]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

ethyl 4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propylamino]piperidine-1-carboxylate
CID 75483425
ethyl 2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetate
CID 113451366
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
N-[1-(4-methyl-1,3-thiazol-2-yl)pentyl]cyclopropanamine
CID 61335257
ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
(3S)-3-(2-amino-2-oxoethyl)-N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 97025955
2-(1-methylsulfonylpiperidin-4-yl)oxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 167927906
ethyl 4-[[3-(4-methyl-1,3-thiazol-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 110355797
ethyl 4-[[(2S)-2-aminobutanoyl]amino]piperidine-1-carboxylate
CID 79025288
ethyl 4-[(1-amino-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 62899266
ethyl 4-[[(2S)-1-hydroxybutan-2-yl]amino]piperidine-1-carboxylate
CID 104980485

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate (CID 97056254) is ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N[C@@H](CC)c2nc(C)cs2)CC1.
What is the InChIKey of ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate?
The InChIKey is VXBRAMRLCGSNRL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-13(14-16-11(3)10-21-14)17-12-6-8-18(9-7-12)15(19)20-5-2/h10,12-13,17H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 97056254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).