3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

C19H15BrFN3O3S — CID 55437963

IUPAC3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)CNC(=O)c3cccc(Br)c3)n2)cc1F
InChIInChI=1S/C19H15BrFN3O3S/c1-27-16-6-5-11(8-14(16)21)15-10-28-19(23-15)24-17(25)9-22-18(26)12-3-2-4-13(20)7-12/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyGDHSESTUGAHSRZ-UHFFFAOYSA-N
MW464.32 g/mol
LogP4.09
Rot. Bonds6

About 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 55437963) has the molecular formula C19H15BrFN3O3S and a molecular weight of 464.32 g/mol. Its IUPAC name is 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID55437963
Molecular FormulaC19H15BrFN3O3S
Molecular Weight464.32 g/mol
Exact Mass463.00
IUPAC Name3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)CNC(=O)c3cccc(Br)c3)n2)cc1F
InChIInChI=1S/C19H15BrFN3O3S/c1-27-16-6-5-11(8-14(16)21)15-10-28-19(23-15)24-17(25)9-22-18(26)12-3-2-4-13(20)7-12/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyGDHSESTUGAHSRZ-UHFFFAOYSA-N
XLogP4.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 46668590
(E)-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55437889
3-[(4-bromophenyl)carbamoylamino]-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55773674
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
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CID 46668396
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 1391807
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 7583100
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
2-(4-chlorophenoxy)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 54858677
N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 56549825
N-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 112805403
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (CID 55437963) is 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is COc1ccc(-c2csc(NC(=O)CNC(=O)c3cccc(Br)c3)n2)cc1F.
What is the InChIKey of 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is GDHSESTUGAHSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O3S/c1-27-16-6-5-11(8-14(16)21)15-10-28-19(23-15)24-17(25)9-22-18(26)12-3-2-4-13(20)7-12/h2-8,10H,9H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 464.32 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 55437963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).