N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C20H12FN3O3S — CID 23144220

IUPACN-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccncc1
InChIInChI=1S/C20H12FN3O3S/c21-14-5-3-12(4-6-14)17(25)18-16(15-2-1-11-27-15)23-20(28-18)24-19(26)13-7-9-22-10-8-13/h1-11H,(H,23,24,26)
InChIKeyABUKHUYBVZGNAS-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.42
Rot. Bonds5

About N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144220) has the molecular formula C20H12FN3O3S and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144220
Molecular FormulaC20H12FN3O3S
Molecular Weight393.40 g/mol
Exact Mass393.06
IUPAC NameN-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccncc1
InChIInChI=1S/C20H12FN3O3S/c21-14-5-3-12(4-6-14)17(25)18-16(15-2-1-11-27-15)23-20(28-18)24-19(26)13-7-9-22-10-8-13/h1-11H,(H,23,24,26)
InChIKeyABUKHUYBVZGNAS-UHFFFAOYSA-N
XLogP4.42
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144220) is N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(F)cc2)s1)c1ccncc1.
What is the InChIKey of N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is ABUKHUYBVZGNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3O3S/c21-14-5-3-12(4-6-14)17(25)18-16(15-2-1-11-27-15)23-20(28-18)24-19(26)13-7-9-22-10-8-13/h1-11H,(H,23,24,26).
What are the key properties of N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorobenzoyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).