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

C13H21N3O2S — CID 54913220

IUPACethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2nc(C)cs2)CC1
InChIInChI=1S/C13H21N3O2S/c1-3-18-13(17)16-6-4-11(5-7-16)14-8-12-15-10(2)9-19-12/h9,11,14H,3-8H2,1-2H3
InChIKeyIJDIGJKAUCKLOK-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.16
Rot. Bonds4

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

ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate (PubChem CID 54913220) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate
PubChem CID54913220
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCc2nc(C)cs2)CC1
InChIInChI=1S/C13H21N3O2S/c1-3-18-13(17)16-6-4-11(5-7-16)14-8-12-15-10(2)9-19-12/h9,11,14H,3-8H2,1-2H3
InChIKeyIJDIGJKAUCKLOK-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate (CID 54913220) is ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCc2nc(C)cs2)CC1.
What is the InChIKey of ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is IJDIGJKAUCKLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-18-13(17)16-6-4-11(5-7-16)14-8-12-15-10(2)9-19-12/h9,11,14H,3-8H2,1-2H3.
What are the key properties of ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methyl-1,3-thiazol-2-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 54913220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).