4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C19H15F2N3O2S — CID 41228449

IUPAC4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C19H15F2N3O2S/c20-14-5-1-12(2-6-14)10-22-17(25)9-16-11-27-19(23-16)24-18(26)13-3-7-15(21)8-4-13/h1-8,11H,9-10H2,(H,22,25)(H,23,24,26)
InChIKeyHLGAAXFVRWKGQK-UHFFFAOYSA-N
MW387.41 g/mol
LogP3.53
Rot. Bonds6

About 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 41228449) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID41228449
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Name4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)NCc1ccc(F)cc1
InChIInChI=1S/C19H15F2N3O2S/c20-14-5-1-12(2-6-14)10-22-17(25)9-16-11-27-19(23-16)24-18(26)13-3-7-15(21)8-4-13/h1-8,11H,9-10H2,(H,22,25)(H,23,24,26)
InChIKeyHLGAAXFVRWKGQK-UHFFFAOYSA-N
XLogP3.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
4-chloro-N-[4-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 18567945
N-[4-[2-[[3-[(4-fluorobenzoyl)amino]phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 60535660
4-fluoro-N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41228817
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 41159444
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
4-fluoro-N-[4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41228732
N-[4-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841885
N-[4-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228676
3,4-dimethoxy-N-[4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567995
N-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 18568111
3,4-dimethoxy-N-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18567997

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 41228449) is 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)NCc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is HLGAAXFVRWKGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c20-14-5-1-12(2-6-14)10-22-17(25)9-16-11-27-19(23-16)24-18(26)13-3-7-15(21)8-4-13/h1-8,11H,9-10H2,(H,22,25)(H,23,24,26).
What are the key properties of 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 387.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 41228449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).