[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone

C16H22N2O4S — CID 42749192

IUPAC[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
SMILESCCCC1SCC(C(=O)N2CCOCC2)N1C(=O)c1ccco1
InChIInChI=1S/C16H22N2O4S/c1-2-4-14-18(16(20)13-5-3-8-22-13)12(11-23-14)15(19)17-6-9-21-10-7-17/h3,5,8,12,14H,2,4,6-7,9-11H2,1H3
InChIKeyJZYZIGQADIWAKK-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.82
Rot. Bonds4

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

[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 42749192) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
PubChem CID42749192
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
SMILESCCCC1SCC(C(=O)N2CCOCC2)N1C(=O)c1ccco1
InChIInChI=1S/C16H22N2O4S/c1-2-4-14-18(16(20)13-5-3-8-22-13)12(11-23-14)15(19)17-6-9-21-10-7-17/h3,5,8,12,14H,2,4,6-7,9-11H2,1H3
InChIKeyJZYZIGQADIWAKK-UHFFFAOYSA-N
XLogP1.82
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 42749204
[3-(furan-2-carbonyl)-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone
CID 42745661
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
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744889
2-[3-ethyl-1-(furan-2-carbonyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 74576696
3-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792926
3-(3-phenylpropanoyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791346
3-[4-(aminomethyl)benzoyl]-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63791131
3-phenylmethoxycarbonyl-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792063

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone (CID 42749192) is [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone is CCCC1SCC(C(=O)N2CCOCC2)N1C(=O)c1ccco1.
What is the InChIKey of [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JZYZIGQADIWAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-2-4-14-18(16(20)13-5-3-8-22-13)12(11-23-14)15(19)17-6-9-21-10-7-17/h3,5,8,12,14H,2,4,6-7,9-11H2,1H3.
What are the key properties of [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone?
[3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 338.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-carbonyl)-2-propyl-1,3-thiazolidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42749192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).