ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate

C19H23N5O5S — CID 73339075

IUPACethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)C3C=CC(=O)N=C3)n2)CC1
InChIInChI=1S/C19H23N5O5S/c1-2-29-19(28)24-7-5-13(6-8-24)21-16(26)9-14-11-30-18(22-14)23-17(27)12-3-4-15(25)20-10-12/h3-4,10-13H,2,5-9H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyKZEFQHARNQICDM-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.14
Rot. Bonds6

About ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate (PubChem CID 73339075) has the molecular formula C19H23N5O5S and a molecular weight of 433.49 g/mol. Its IUPAC name is ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
PubChem CID73339075
Molecular FormulaC19H23N5O5S
Molecular Weight433.49 g/mol
Exact Mass433.14
IUPAC Nameethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)C3C=CC(=O)N=C3)n2)CC1
InChIInChI=1S/C19H23N5O5S/c1-2-29-19(28)24-7-5-13(6-8-24)21-16(26)9-14-11-30-18(22-14)23-17(27)12-3-4-15(25)20-10-12/h3-4,10-13H,2,5-9H2,1H3,(H,21,26)(H,22,23,27)
InChIKeyKZEFQHARNQICDM-UHFFFAOYSA-N
XLogP1.14
TPSA130.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
6-oxo-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338983
ethyl 4-[2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperazine-1-carboxylate
CID 41211680
N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-6-oxo-3H-pyridine-3-carboxamide
CID 73339054
6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338988
tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46524628
ethyl 4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]piperidine-1-carboxylate
CID 31369313
ethyl 4-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]piperidine-1-carboxylate
CID 110332728
ethyl 4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperazine-1-carboxylate
CID 42437024
ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
CID 42208796
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate (CID 73339075) is ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2csc(NC(=O)C3C=CC(=O)N=C3)n2)CC1.
What is the InChIKey of ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is KZEFQHARNQICDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5S/c1-2-29-19(28)24-7-5-13(6-8-24)21-16(26)9-14-11-30-18(22-14)23-17(27)12-3-4-15(25)20-10-12/h3-4,10-13H,2,5-9H2,1H3,(H,21,26)(H,22,23,27).
What are the key properties of ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 433.49 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-[(6-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 73339075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).