ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate

C15H25N3O2S — CID 99785660

IUPACethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate
SMILESCCOC(=O)[C@@H](C)N1CCC(Nc2nc(CC)cs2)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-12-10-21-15(16-12)17-13-6-8-18(9-7-13)11(3)14(19)20-5-2/h10-11,13H,4-9H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyMIBNLBRMSCOWHM-LLVKDONJSA-N
MW311.45 g/mol
LogP2.53
Rot. Bonds6

About ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate

ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate (PubChem CID 99785660) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate
PubChem CID99785660
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate
SMILESCCOC(=O)[C@@H](C)N1CCC(Nc2nc(CC)cs2)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-12-10-21-15(16-12)17-13-6-8-18(9-7-13)11(3)14(19)20-5-2/h10-11,13H,4-9H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyMIBNLBRMSCOWHM-LLVKDONJSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate?
The IUPAC name of ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate (CID 99785660) is ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate?
The canonical SMILES for ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate is CCOC(=O)[C@@H](C)N1CCC(Nc2nc(CC)cs2)CC1.
What is the InChIKey of ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate?
The InChIKey is MIBNLBRMSCOWHM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-12-10-21-15(16-12)17-13-6-8-18(9-7-13)11(3)14(19)20-5-2/h10-11,13H,4-9H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate?
ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate has a molecular weight of 311.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate is sourced from PubChem (CID 99785660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).