4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

C19H14BrF2N3O2S — CID 26207672

IUPAC4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C19H14BrF2N3O2S/c20-12-3-1-11(2-4-12)18(27)23-8-7-17(26)25-19-24-16(10-28-19)14-9-13(21)5-6-15(14)22/h1-6,9-10H,7-8H2,(H,23,27)(H,24,25,26)
InChIKeyUEGLBWDPVYSQLX-UHFFFAOYSA-N
MW466.31 g/mol
LogP4.61
Rot. Bonds6

About 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide

4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (PubChem CID 26207672) has the molecular formula C19H14BrF2N3O2S and a molecular weight of 466.31 g/mol. Its IUPAC name is 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
PubChem CID26207672
Molecular FormulaC19H14BrF2N3O2S
Molecular Weight466.31 g/mol
Exact Mass465.00
IUPAC Name4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C19H14BrF2N3O2S/c20-12-3-1-11(2-4-12)18(27)23-8-7-17(26)25-19-24-16(10-28-19)14-9-13(21)5-6-15(14)22/h1-6,9-10H,7-8H2,(H,23,27)(H,24,25,26)
InChIKeyUEGLBWDPVYSQLX-UHFFFAOYSA-N
XLogP4.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.31
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657106
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]hexanamide
CID 26207795
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 25485702
4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 16550158
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 18089737
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 30847400
2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 26207781
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 167980261
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 24597210

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide (CID 26207672) is 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
The InChIKey is UEGLBWDPVYSQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF2N3O2S/c20-12-3-1-11(2-4-12)18(27)23-8-7-17(26)25-19-24-16(10-28-19)14-9-13(21)5-6-15(14)22/h1-6,9-10H,7-8H2,(H,23,27)(H,24,25,26).
What are the key properties of 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide has a molecular weight of 466.31 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 26207672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).