2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C21H16FN3O2S — CID 78843587

IUPAC2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccc(F)cc2)n1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C21H16FN3O2S/c22-17-7-5-16(6-8-17)20-24-19(14-28-20)21(26)25(13-18-4-2-10-27-18)12-15-3-1-9-23-11-15/h1-11,14H,12-13H2
InChIKeyZULNZJJNOIXOSS-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.78
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 78843587) has the molecular formula C21H16FN3O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID78843587
Molecular FormulaC21H16FN3O2S
Molecular Weight393.44 g/mol
Exact Mass393.09
IUPAC Name2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1csc(-c2ccc(F)cc2)n1)N(Cc1cccnc1)Cc1ccco1
InChIInChI=1S/C21H16FN3O2S/c22-17-7-5-16(6-8-17)20-24-19(14-28-20)21(26)25(13-18-4-2-10-27-18)12-15-3-1-9-23-11-15/h1-11,14H,12-13H2
InChIKeyZULNZJJNOIXOSS-UHFFFAOYSA-N
XLogP4.78
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
1-[[4-[(4-fluorophenyl)methyl]-5-thieno[3,2-b]pyrrolyl]-oxomethyl]-N-(2-furanylmethyl)-4-piperidinecarboxamide
CID 3240671
2-[4-(2-Furoyl)piperazine-1-yl]-N-[4-(2-methylthiazol-4-yl)phenyl]acetamide (5p)
CID 73443011
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 650746
2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1243722
5-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-3-(2-furylmethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 1310757
Furan-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-thiophen-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211853
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]furan-2-carboxamide
CID 3244574
N-[3-[[4-(4-fluorophenyl)piperazin-1-yl]-pyridin-3-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide
CID 3311355
N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4145602

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 78843587) is 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(c1csc(-c2ccc(F)cc2)n1)N(Cc1cccnc1)Cc1ccco1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZULNZJJNOIXOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2S/c22-17-7-5-16(6-8-17)20-24-19(14-28-20)21(26)25(13-18-4-2-10-27-18)12-15-3-1-9-23-11-15/h1-11,14H,12-13H2.
What are the key properties of 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78843587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).