methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate

C12H17N3O4S — CID 143277517

IUPACmethyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(NC=O)C(OC)C2)s1
InChIInChI=1S/C12H17N3O4S/c1-18-9-6-15(4-3-8(9)14-7-16)12-13-5-10(20-12)11(17)19-2/h5,7-9H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyLOAOIPPNBFFKDB-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.27
Rot. Bonds5

About methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate

methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 143277517) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID143277517
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Namemethyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(NC=O)C(OC)C2)s1
InChIInChI=1S/C12H17N3O4S/c1-18-9-6-15(4-3-8(9)14-7-16)12-13-5-10(20-12)11(17)19-2/h5,7-9H,3-4,6H2,1-2H3,(H,14,16)
InChIKeyLOAOIPPNBFFKDB-UHFFFAOYSA-N
XLogP0.27
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate (CID 143277517) is methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(N2CCC(NC=O)C(OC)C2)s1.
What is the InChIKey of methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is LOAOIPPNBFFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-18-9-6-15(4-3-8(9)14-7-16)12-13-5-10(20-12)11(17)19-2/h5,7-9H,3-4,6H2,1-2H3,(H,14,16).
What are the key properties of methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-formamido-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 143277517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).