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

C20H24N4O5S — CID 74526928

IUPACethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2csc(NC(=O)C3C=CC=NC3=O)n2)CC1
InChIInChI=1S/C20H24N4O5S/c1-2-29-19(28)13-7-10-24(11-8-13)16(25)6-5-14-12-30-20(22-14)23-18(27)15-4-3-9-21-17(15)26/h3-4,9,12-13,15H,2,5-8,10-11H2,1H3,(H,22,23,27)
InChIKeyIHEOSJFPEPAKOY-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.60
Rot. Bonds7

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

ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate (PubChem CID 74526928) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate
PubChem CID74526928
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Nameethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2csc(NC(=O)C3C=CC=NC3=O)n2)CC1
InChIInChI=1S/C20H24N4O5S/c1-2-29-19(28)13-7-10-24(11-8-13)16(25)6-5-14-12-30-20(22-14)23-18(27)15-4-3-9-21-17(15)26/h3-4,9,12-13,15H,2,5-8,10-11H2,1H3,(H,22,23,27)
InChIKeyIHEOSJFPEPAKOY-UHFFFAOYSA-N
XLogP1.60
TPSA118.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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

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Launch Full Analysis

Related Compounds

N-[4-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74597654
N-[4-[3-(4-acetamidoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74526973
ethyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450854
2-oxo-N-[4-[3-oxo-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 75118812
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 73338863
ethyl 1-[3-(2-methyl-1,3-thiazol-4-yl)propanoyl]piperidine-3-carboxylate
CID 110678658
tert-butyl 4-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46524628
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[2-[2-[[2-[cyclohexanecarbonyl(cyclopropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 4597564
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483
1-[2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 41228231
ethyl 1-[2-[2-[[2-[(4-methylbenzoyl)-(2-methylpropyl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 3590576

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate (CID 74526928) is ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2csc(NC(=O)C3C=CC=NC3=O)n2)CC1.
What is the InChIKey of ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate?
The InChIKey is IHEOSJFPEPAKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-2-29-19(28)13-7-10-24(11-8-13)16(25)6-5-14-12-30-20(22-14)23-18(27)15-4-3-9-21-17(15)26/h3-4,9,12-13,15H,2,5-8,10-11H2,1H3,(H,22,23,27).
What are the key properties of ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate has a molecular weight of 432.50 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[2-[(2-oxo-3H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 74526928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).