ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate

C16H20N4O2S — CID 70881060

IUPACethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCC[C@@H](C)C2)nc1-c1cnccn1
InChIInChI=1S/C16H20N4O2S/c1-3-22-15(21)14-13(12-9-17-6-7-18-12)19-16(23-14)20-8-4-5-11(2)10-20/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m1/s1
InChIKeyOLMNXISHGUHKAE-LLVKDONJSA-N
MW332.43 g/mol
LogP3.01
Rot. Bonds4

About ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate

ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 70881060) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID70881060
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Nameethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCC[C@@H](C)C2)nc1-c1cnccn1
InChIInChI=1S/C16H20N4O2S/c1-3-22-15(21)14-13(12-9-17-6-7-18-12)19-16(23-14)20-8-4-5-11(2)10-20/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m1/s1
InChIKeyOLMNXISHGUHKAE-LLVKDONJSA-N
XLogP3.01
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate (CID 70881060) is ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCC[C@@H](C)C2)nc1-c1cnccn1.
What is the InChIKey of ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is OLMNXISHGUHKAE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-22-15(21)14-13(12-9-17-6-7-18-12)19-16(23-14)20-8-4-5-11(2)10-20/h6-7,9,11H,3-5,8,10H2,1-2H3/t11-/m1/s1.
What are the key properties of ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 332.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 70881060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).