[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C18H26N2O3S — CID 42749204

IUPAC[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCCC1SCC(C(=O)N2CCC(C)CC2)N1C(=O)c1ccco1
InChIInChI=1S/C18H26N2O3S/c1-3-5-16-20(18(22)15-6-4-11-23-15)14(12-24-16)17(21)19-9-7-13(2)8-10-19/h4,6,11,13-14,16H,3,5,7-10,12H2,1-2H3
InChIKeyKQDAQTMVODVGLI-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.22
Rot. Bonds4

About [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 42749204) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID42749204
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCCC1SCC(C(=O)N2CCC(C)CC2)N1C(=O)c1ccco1
InChIInChI=1S/C18H26N2O3S/c1-3-5-16-20(18(22)15-6-4-11-23-15)14(12-24-16)17(21)19-9-7-13(2)8-10-19/h4,6,11,13-14,16H,3,5,7-10,12H2,1-2H3
InChIKeyKQDAQTMVODVGLI-UHFFFAOYSA-N
XLogP3.22
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
CID 42749192
N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744888
N-tert-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744887
3-[3-(furan-2-yl)prop-2-enoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 77006835
N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744889
N-(furan-2-carbonyl)-4-methylpiperidine-1-carboxamide
CID 110865978
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
3-(3-phenylpropanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791346
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 42749204) is [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CCCC1SCC(C(=O)N2CCC(C)CC2)N1C(=O)c1ccco1.
What is the InChIKey of [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KQDAQTMVODVGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-3-5-16-20(18(22)15-6-4-11-23-15)14(12-24-16)17(21)19-9-7-13(2)8-10-19/h4,6,11,13-14,16H,3,5,7-10,12H2,1-2H3.
What are the key properties of [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 350.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 42749204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).