3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide

C21H18FN3O3S — CID 42745150

IUPAC3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H18FN3O3S/c22-17-5-3-15(4-6-17)20(27)25-18(13-29-21(25)16-7-9-28-12-16)19(26)24-11-14-2-1-8-23-10-14/h1-10,12,18,21H,11,13H2,(H,24,26)
InChIKeyBRZPOBNHLRVVAG-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.39
Rot. Bonds5

About 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide

3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745150) has the molecular formula C21H18FN3O3S and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745150
Molecular FormulaC21H18FN3O3S
Molecular Weight411.46 g/mol
Exact Mass411.11
IUPAC Name3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCc1cccnc1)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H18FN3O3S/c22-17-5-3-15(4-6-17)20(27)25-18(13-29-21(25)16-7-9-28-12-16)19(26)24-11-14-2-1-8-23-10-14/h1-10,12,18,21H,11,13H2,(H,24,26)
InChIKeyBRZPOBNHLRVVAG-UHFFFAOYSA-N
XLogP3.39
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 42745150) is 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C(NCc1cccnc1)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is BRZPOBNHLRVVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3S/c22-17-5-3-15(4-6-17)20(27)25-18(13-29-21(25)16-7-9-28-12-16)19(26)24-11-14-2-1-8-23-10-14/h1-10,12,18,21H,11,13H2,(H,24,26).
What are the key properties of 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).