ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

C19H24N4O4S — CID 16674964

IUPACethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)nc1C
InChIInChI=1S/C19H24N4O4S/c1-3-27-17(25)16-13(2)21-18(28-16)22-15(24)12-23-10-7-19(26,8-11-23)14-6-4-5-9-20-14/h4-6,9,26H,3,7-8,10-12H2,1-2H3,(H,21,22,24)
InChIKeyHFNRWRIZCBFJJA-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.95
Rot. Bonds6

About ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 16674964) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID16674964
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Nameethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)nc1C
InChIInChI=1S/C19H24N4O4S/c1-3-27-17(25)16-13(2)21-18(28-16)22-15(24)12-23-10-7-19(26,8-11-23)14-6-4-5-9-20-14/h4-6,9,26H,3,7-8,10-12H2,1-2H3,(H,21,22,24)
InChIKeyHFNRWRIZCBFJJA-UHFFFAOYSA-N
XLogP1.95
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 16674964) is ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CN2CCC(O)(c3ccccn3)CC2)nc1C.
What is the InChIKey of ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is HFNRWRIZCBFJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-3-27-17(25)16-13(2)21-18(28-16)22-15(24)12-23-10-7-19(26,8-11-23)14-6-4-5-9-20-14/h4-6,9,26H,3,7-8,10-12H2,1-2H3,(H,21,22,24).
What are the key properties of ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 404.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-hydroxy-4-pyridin-2-ylpiperidin-1-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 16674964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).