N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

C23H18FN3OS — CID 11502288

IUPACN-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C23H18FN3OS/c1-2-20-27-21(15-8-10-18(24)11-9-15)22(29-20)17-12-13-25-19(14-17)26-23(28)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,25,26,28)
InChIKeyZOFLBKLKRCZRFS-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.83
Rot. Bonds5

About N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide

N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 11502288) has the molecular formula C23H18FN3OS and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID11502288
Molecular FormulaC23H18FN3OS
Molecular Weight403.48 g/mol
Exact Mass403.12
IUPAC NameN-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C23H18FN3OS/c1-2-20-27-21(15-8-10-18(24)11-9-15)22(29-20)17-12-13-25-19(14-17)26-23(28)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,25,26,28)
InChIKeyZOFLBKLKRCZRFS-UHFFFAOYSA-N
XLogP5.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 11502288) is N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is CCc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is ZOFLBKLKRCZRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3OS/c1-2-20-27-21(15-8-10-18(24)11-9-15)22(29-20)17-12-13-25-19(14-17)26-23(28)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,25,26,28).
What are the key properties of N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-4-(4-fluorophenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11502288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).