ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate

C14H23N3O2S — CID 114516767

IUPACethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCCC1CCN(C)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-19-14(18)12-13(20-10-16-12)15-7-4-11-5-8-17(2)9-6-11/h10-11,15H,3-9H2,1-2H3
InChIKeyYJIAUCVMCHSBFL-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.46
Rot. Bonds6

About ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate

ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate (PubChem CID 114516767) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate
PubChem CID114516767
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCCC1CCN(C)CC1
InChIInChI=1S/C14H23N3O2S/c1-3-19-14(18)12-13(20-10-16-12)15-7-4-11-5-8-17(2)9-6-11/h10-11,15H,3-9H2,1-2H3
InChIKeyYJIAUCVMCHSBFL-UHFFFAOYSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

US11390631, Example 335
CID 126482463
Ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
CID 54593333
Ethyl 5-[2-(1,1-difluoroethyl)morpholin-4-yl]-1,3-thiazole-4-carboxylate
CID 174907672
Methyl 5-(ethylamino)-1,3-thiazole-4-carboxylate
CID 12792585
Ethyl 5-(ethylamino)-2-methylsulfanyl-1,3-thiazole-4-carboxylate
CID 21599020
Methyl 5-(propan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 130014232
Ethyl 5-(2,2,2-trifluoroethylamino)-1,3-thiazole-4-carboxylate
CID 64270061
Ethyl 5-(3,3,3-trifluoropropylamino)-1,3-thiazole-4-carboxylate
CID 64270691
Ethyl 5-[2-(2,2,2-trifluoroethoxy)ethylamino]-1,3-thiazole-4-carboxylate
CID 64270867
Ethyl 5-[2-(2,2-difluoroethoxy)ethylamino]-1,3-thiazole-4-carboxylate
CID 105919307
Ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate
CID 106295398
Ethyl 5-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazole-4-carboxylate
CID 106432552

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate (CID 114516767) is ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NCCC1CCN(C)CC1.
What is the InChIKey of ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is YJIAUCVMCHSBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-19-14(18)12-13(20-10-16-12)15-7-4-11-5-8-17(2)9-6-11/h10-11,15H,3-9H2,1-2H3.
What are the key properties of ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate?
ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 114516767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).