ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate

C15H25N3O2S — CID 50961400

IUPACethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCc2nc(C)c(C)s2)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-20-15(19)18-9-6-13(7-10-18)16-8-5-14-17-11(2)12(3)21-14/h13,16H,4-10H2,1-3H3
InChIKeyUSCXKGBRJROBCW-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.51
Rot. Bonds5

About ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 50961400) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate
PubChem CID50961400
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCc2nc(C)c(C)s2)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-20-15(19)18-9-6-13(7-10-18)16-8-5-14-17-11(2)12(3)21-14/h13,16H,4-10H2,1-3H3
InChIKeyUSCXKGBRJROBCW-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl-methylamino]piperidine-1-carboxylate
CID 71982961
ethyl 4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 97056254
3-[(4,5-Dimethyl-1,3-thiazol-2-YL)methyl]-1-[1-(2-methoxyethyl)piperidin-3-YL]urea
CID 71989950
4-{[(2,4-Dimethyl-thiazol-5-yl)methyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester
CID 68576593
2-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfanyl]ethyl piperazine-1-carboxylate
CID 145736559
Tert-butyl 3-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 168246144
tert-butyl N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]carbamate
CID 174909780
Ethyl 4-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 24023058
Ethyl 4-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 43109490
Ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate
CID 54913220
tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate
CID 56783925
Ethyl 4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 60216222

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate (CID 50961400) is ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCc2nc(C)c(C)s2)CC1.
What is the InChIKey of ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is USCXKGBRJROBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-20-15(19)18-9-6-13(7-10-18)16-8-5-14-17-11(2)12(3)21-14/h13,16H,4-10H2,1-3H3.
What are the key properties of ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50961400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).