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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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).