ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate

C19H24N4O5S — CID 42208796

IUPACethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)CC1
InChIInChI=1S/C19H24N4O5S/c1-2-27-19(26)23-9-7-13(8-10-23)20-16(24)6-5-14-12-29-18(21-14)22-17(25)15-4-3-11-28-15/h3-4,11-13H,2,5-10H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyVJZRGXDAEBZOSZ-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.66
Rot. Bonds7

About ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate (PubChem CID 42208796) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
PubChem CID42208796
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC Nameethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)CC1
InChIInChI=1S/C19H24N4O5S/c1-2-27-19(26)23-9-7-13(8-10-23)20-16(24)6-5-14-12-29-18(21-14)22-17(25)15-4-3-11-28-15/h3-4,11-13H,2,5-10H2,1H3,(H,20,24)(H,21,22,25)
InChIKeyVJZRGXDAEBZOSZ-UHFFFAOYSA-N
XLogP2.66
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[3-(2-methyl-1,3-thiazol-4-yl)propanoylamino]piperidine-1-carboxylate
CID 110332728
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208452
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208778
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 42208461
N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208479
N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208780
N-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41227073
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208460
prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 108559625

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate (CID 42208796) is ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)CC1.
What is the InChIKey of ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate?
The InChIKey is VJZRGXDAEBZOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-2-27-19(26)23-9-7-13(8-10-23)20-16(24)6-5-14-12-29-18(21-14)22-17(25)15-4-3-11-28-15/h3-4,11-13H,2,5-10H2,1H3,(H,20,24)(H,21,22,25).
What are the key properties of ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate has a molecular weight of 420.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 42208796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).