ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate

C18H22N2O4S — CID 38414533

IUPACethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)CC1
InChIInChI=1S/C18H22N2O4S/c1-4-23-18(22)13-7-9-20(10-8-13)17(21)15-12(3)19-16(25-15)14-6-5-11(2)24-14/h5-6,13H,4,7-10H2,1-3H3
InChIKeyHXCIBTJWOYCZPR-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.44
Rot. Bonds4

About ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate

ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate (PubChem CID 38414533) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
PubChem CID38414533
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Nameethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)CC1
InChIInChI=1S/C18H22N2O4S/c1-4-23-18(22)13-7-9-20(10-8-13)17(21)15-12(3)19-16(25-15)14-6-5-11(2)24-14/h5-6,13H,4,7-10H2,1-3H3
InChIKeyHXCIBTJWOYCZPR-UHFFFAOYSA-N
XLogP3.44
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-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

(4-aminopiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119375760
[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone
CID 119624366
ethyl 1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 39080805
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120814689
(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 99633825
1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 38497854
[2-(1-aminoethyl)piperidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 119436791
N-[(3S)-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]acetamide
CID 94796886
ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203
N-(2-methoxyethyl)-2-[4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
CID 78870020
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone
CID 120746669
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120742338

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate (CID 38414533) is ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)CC1.
What is the InChIKey of ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
The InChIKey is HXCIBTJWOYCZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-23-18(22)13-7-9-20(10-8-13)17(21)15-12(3)19-16(25-15)14-6-5-11(2)24-14/h5-6,13H,4,7-10H2,1-3H3.
What are the key properties of ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate?
ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate has a molecular weight of 362.45 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 38414533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).