ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate

C15H18N4O2S — CID 70881073

IUPACethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCCCC2)nc1-c1cnccn1
InChIInChI=1S/C15H18N4O2S/c1-2-21-14(20)13-12(11-10-16-6-7-17-11)18-15(22-13)19-8-4-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3
InChIKeyJWDGIIAOFPPQSS-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.77
Rot. Bonds4

About ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate

ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 70881073) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID70881073
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Nameethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCCCC2)nc1-c1cnccn1
InChIInChI=1S/C15H18N4O2S/c1-2-21-14(20)13-12(11-10-16-6-7-17-11)18-15(22-13)19-8-4-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3
InChIKeyJWDGIIAOFPPQSS-UHFFFAOYSA-N
XLogP2.77
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[5-[(3R)-3-methylpiperazin-1-yl]pyrazin-2-yl]-2-piperidin-1-yl-1,3-thiazole-5-carboxylate
CID 70881056
ethyl 4-methyl-2-pyrazin-2-yl-1,3-thiazole-5-carboxylate
CID 2740342
ethyl 3-methyl-6-pyrazin-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 81495842
ethyl 2-[(3R)-3-methylpiperidin-1-yl]-4-(5-piperazin-1-ylpyrazin-2-yl)-1,3-thiazole-5-carboxylate
CID 70881099
ethyl 4-[5-[(3R)-3-methylpiperazin-1-yl]pyrazin-2-yl]-2-[(3R)-3-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 70881152
ethyl 2-(azepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80568096
ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
CID 97035612
propyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 116674041
ethyl 2-(azetidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine-6-carboxylate
CID 138688419
ethyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 68909460
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate (CID 70881073) is ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCCCC2)nc1-c1cnccn1.
What is the InChIKey of ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is JWDGIIAOFPPQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-2-21-14(20)13-12(11-10-16-6-7-17-11)18-15(22-13)19-8-4-3-5-9-19/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate?
ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 318.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-piperidin-1-yl-4-pyrazin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 70881073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).