N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide

C19H14BrF2N3O2S — CID 24657106

IUPACN-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H14BrF2N3O2S/c20-12-3-1-11(2-4-12)16-10-28-19(24-16)25-17(26)7-8-23-18(27)14-6-5-13(21)9-15(14)22/h1-6,9-10H,7-8H2,(H,23,27)(H,24,25,26)
InChIKeyZFDXMHFWHMWVMP-UHFFFAOYSA-N
MW466.31 g/mol
LogP4.61
Rot. Bonds6

About N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide

N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 24657106) has the molecular formula C19H14BrF2N3O2S and a molecular weight of 466.31 g/mol. Its IUPAC name is N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID24657106
Molecular FormulaC19H14BrF2N3O2S
Molecular Weight466.31 g/mol
Exact Mass465.00
IUPAC NameN-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H14BrF2N3O2S/c20-12-3-1-11(2-4-12)16-10-28-19(24-16)25-17(26)7-8-23-18(27)14-6-5-13(21)9-15(14)22/h1-6,9-10H,7-8H2,(H,23,27)(H,24,25,26)
InChIKeyZFDXMHFWHMWVMP-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

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Related Compounds

N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 25485702
2,4-difluoro-N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 55494134
2,4-difluoro-N-[3-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 24597210
4-bromo-N-[3-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 26207672
4-bromo-2-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 26693919
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24597218
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
2,4-difluoro-N-[2-oxo-2-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]ethyl]benzamide
CID 55494609
3-[(4-bromophenyl)carbamoylamino]-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 55773674
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide
CID 56520163
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide (CID 24657106) is N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1F)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is ZFDXMHFWHMWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrF2N3O2S/c20-12-3-1-11(2-4-12)16-10-28-19(24-16)25-17(26)7-8-23-18(27)14-6-5-13(21)9-15(14)22/h1-6,9-10H,7-8H2,(H,23,27)(H,24,25,26).
What are the key properties of N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide 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 N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 24657106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).