N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C23H15BrF2N2OS2 — CID 23771975

IUPACN-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)s1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C23H15BrF2N2OS2/c24-17-11-16(25)12-18(26)21(17)27-19(29)13-30-23-28-20(14-7-3-1-4-8-14)22(31-23)15-9-5-2-6-10-15/h1-12H,13H2,(H,27,29)
InChIKeyKTLBQVBDIDDXGO-UHFFFAOYSA-N
MW517.42 g/mol
LogP7.25
Rot. Bonds6

About N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 23771975) has the molecular formula C23H15BrF2N2OS2 and a molecular weight of 517.42 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID23771975
Molecular FormulaC23H15BrF2N2OS2
Molecular Weight517.42 g/mol
Exact Mass515.98
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)s1)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C23H15BrF2N2OS2/c24-17-11-16(25)12-18(26)21(17)27-19(29)13-30-23-28-20(14-7-3-1-4-8-14)22(31-23)15-9-5-2-6-10-15/h1-12H,13H2,(H,27,29)
InChIKeyKTLBQVBDIDDXGO-UHFFFAOYSA-N
XLogP7.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.42
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide 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

2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetic acid
CID 54440885
2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 5293192
2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 54224209
N-(2-bromo-4,6-difluorophenyl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 36532977
1-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]propan-2-one;propane
CID 169104011
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide
CID 167825999
4-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]butanoic acid
CID 13491147
N-(2-bromo-4,6-difluorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3949295
N-(2-bromo-4,6-difluorophenyl)-2-[[4-ethyl-5-[(1R)-1-phenoxyethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1292529
N-[(1S)-1-[5-[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 2202322
N-(2-bromo-4,6-difluorophenyl)-2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2234276

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 23771975) is N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)s1)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is KTLBQVBDIDDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrF2N2OS2/c24-17-11-16(25)12-18(26)21(17)27-19(29)13-30-23-28-20(14-7-3-1-4-8-14)22(31-23)15-9-5-2-6-10-15/h1-12H,13H2,(H,27,29).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 517.42 g/mol, XLogP of 7.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-[(4,5-diphenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 23771975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).