N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

C18H13BrFN3O2S — CID 55704203

IUPACN-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrFN3O2S/c19-11-5-7-12(8-6-11)21-16(24)9-13-10-26-18(22-13)23-17(25)14-3-1-2-4-15(14)20/h1-8,10H,9H2,(H,21,24)(H,22,23,25)
InChIKeyLPJMWILKMODRSD-UHFFFAOYSA-N
MW434.29 g/mol
LogP4.48
Rot. Bonds5

About N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide

N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (PubChem CID 55704203) has the molecular formula C18H13BrFN3O2S and a molecular weight of 434.29 g/mol. Its IUPAC name is N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
PubChem CID55704203
Molecular FormulaC18H13BrFN3O2S
Molecular Weight434.29 g/mol
Exact Mass432.99
IUPAC NameN-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccc(Br)cc1
InChIInChI=1S/C18H13BrFN3O2S/c19-11-5-7-12(8-6-11)21-16(24)9-13-10-26-18(22-13)23-17(25)14-3-1-2-4-15(14)20/h1-8,10H,9H2,(H,21,24)(H,22,23,25)
InChIKeyLPJMWILKMODRSD-UHFFFAOYSA-N
XLogP4.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[4-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 55704463
N-[4-[2-[3-(difluoromethoxy)-4-methoxyanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55706929
N-[4-[2-(3-benzyl-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55719652
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 20930709
2-fluoro-N-[4-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 55719953
N-[4-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 55704551
2-fluoro-N-[4-[2-oxo-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 56557619
2-fluoro-N-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 47730257
3-fluoro-N-[2-[[2-[2-[(2-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetyl]amino]ethyl]-4-methylbenzamide
CID 55706715
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-bromo-2-fluorobenzamide
CID 18139574
N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208842
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 18568020

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The IUPAC name of N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide (CID 55704203) is N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The canonical SMILES for N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is O=C(Cc1csc(NC(=O)c2ccccc2F)n1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
The InChIKey is LPJMWILKMODRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O2S/c19-11-5-7-12(8-6-11)21-16(24)9-13-10-26-18(22-13)23-17(25)14-3-1-2-4-15(14)20/h1-8,10H,9H2,(H,21,24)(H,22,23,25).
What are the key properties of N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide?
N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide has a molecular weight of 434.29 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-bromoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 55704203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).