3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide

C20H21FN2O3S — CID 4057142

IUPAC3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C2SCC(C(=O)NCc3ccc(F)cc3)N2C(C)=O)cc1
InChIInChI=1S/C20H21FN2O3S/c1-13(24)23-18(19(25)22-11-14-3-7-16(21)8-4-14)12-27-20(23)15-5-9-17(26-2)10-6-15/h3-10,18,20H,11-12H2,1-2H3,(H,22,25)
InChIKeyGZHNNSHXRIEABS-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.11
Rot. Bonds5

About 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide

3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4057142) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4057142
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(C2SCC(C(=O)NCc3ccc(F)cc3)N2C(C)=O)cc1
InChIInChI=1S/C20H21FN2O3S/c1-13(24)23-18(19(25)22-11-14-3-7-16(21)8-4-14)12-27-20(23)15-5-9-17(26-2)10-6-15/h3-10,18,20H,11-12H2,1-2H3,(H,22,25)
InChIKeyGZHNNSHXRIEABS-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 4057142) is 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(C2SCC(C(=O)NCc3ccc(F)cc3)N2C(C)=O)cc1.
What is the InChIKey of 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is GZHNNSHXRIEABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-13(24)23-18(19(25)22-11-14-3-7-16(21)8-4-14)12-27-20(23)15-5-9-17(26-2)10-6-15/h3-10,18,20H,11-12H2,1-2H3,(H,22,25).
What are the key properties of 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4057142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).