ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate

C16H25N3O3S — CID 51087087

IUPACethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CN2CCC(NC(=O)C(C)C)CC2)cs1
InChIInChI=1S/C16H25N3O3S/c1-4-22-16(21)15-18-13(10-23-15)9-19-7-5-12(6-8-19)17-14(20)11(2)3/h10-12H,4-9H2,1-3H3,(H,17,20)
InChIKeyKUCMCDFTVYQINS-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.06
Rot. Bonds6

About ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate

ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate (PubChem CID 51087087) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
PubChem CID51087087
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Nameethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(CN2CCC(NC(=O)C(C)C)CC2)cs1
InChIInChI=1S/C16H25N3O3S/c1-4-22-16(21)15-18-13(10-23-15)9-19-7-5-12(6-8-19)17-14(20)11(2)3/h10-12H,4-9H2,1-3H3,(H,17,20)
InChIKeyKUCMCDFTVYQINS-UHFFFAOYSA-N
XLogP2.06
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate (CID 51087087) is ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(CN2CCC(NC(=O)C(C)C)CC2)cs1.
What is the InChIKey of ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate?
The InChIKey is KUCMCDFTVYQINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-22-16(21)15-18-13(10-23-15)9-19-7-5-12(6-8-19)17-14(20)11(2)3/h10-12H,4-9H2,1-3H3,(H,17,20).
What are the key properties of ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate has a molecular weight of 339.46 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 51087087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).