1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

C18H24N2O3S — CID 4057143

IUPAC1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(C(=O)N2CCCC2)CSC1c1ccc(OC)cc1
InChIInChI=1S/C18H24N2O3S/c1-3-16(21)20-15(17(22)19-10-4-5-11-19)12-24-18(20)13-6-8-14(23-2)9-7-13/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyJUACLZGFRHBDOD-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.67
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 4057143) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID4057143
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(C(=O)N2CCCC2)CSC1c1ccc(OC)cc1
InChIInChI=1S/C18H24N2O3S/c1-3-16(21)20-15(17(22)19-10-4-5-11-19)12-24-18(20)13-6-8-14(23-2)9-7-13/h6-9,15,18H,3-5,10-12H2,1-2H3
InChIKeyJUACLZGFRHBDOD-UHFFFAOYSA-N
XLogP2.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one (CID 4057143) is 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one is CCC(=O)N1C(C(=O)N2CCCC2)CSC1c1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is JUACLZGFRHBDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-3-16(21)20-15(17(22)19-10-4-5-11-19)12-24-18(20)13-6-8-14(23-2)9-7-13/h6-9,15,18H,3-5,10-12H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one?
1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 348.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 4057143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).