2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone

C21H13FN2O3S — CID 130257012

IUPAC2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone
SMILESO=C(Cc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccncc1
InChIInChI=1S/C21H13FN2O3S/c22-15-5-3-14(4-6-15)20(26)21-19(17-2-1-11-27-17)24-18(28-21)12-16(25)13-7-9-23-10-8-13/h1-11H,12H2
InChIKeyQDDNKKLXMNHUTB-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.59
Rot. Bonds6

About 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone

2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone (PubChem CID 130257012) has the molecular formula C21H13FN2O3S and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone
PubChem CID130257012
Molecular FormulaC21H13FN2O3S
Molecular Weight392.41 g/mol
Exact Mass392.06
IUPAC Name2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone
SMILESO=C(Cc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccncc1
InChIInChI=1S/C21H13FN2O3S/c22-15-5-3-14(4-6-15)20(26)21-19(17-2-1-11-27-17)24-18(28-21)12-16(25)13-7-9-23-10-8-13/h1-11H,12H2
InChIKeyQDDNKKLXMNHUTB-UHFFFAOYSA-N
XLogP4.59
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone?
The IUPAC name of 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone (CID 130257012) is 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone?
The canonical SMILES for 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone is O=C(Cc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccncc1.
What is the InChIKey of 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone?
The InChIKey is QDDNKKLXMNHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O3S/c22-15-5-3-14(4-6-15)20(26)21-19(17-2-1-11-27-17)24-18(28-21)12-16(25)13-7-9-23-10-8-13/h1-11H,12H2.
What are the key properties of 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone?
2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone has a molecular weight of 392.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]-1-pyridin-4-ylethanone is sourced from PubChem (CID 130257012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).