2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide

C23H15ClF2N2OS — CID 3648729

IUPAC2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C23H15ClF2N2OS/c24-17-9-5-4-8-16(17)23-28-22(14-6-2-1-3-7-14)20(30-23)13-21(29)27-19-11-10-15(25)12-18(19)26/h1-12H,13H2,(H,27,29)
InChIKeyRVOLWXXNFWVNDM-UHFFFAOYSA-N
MW440.90 g/mol
LogP6.59
Rot. Bonds5

About 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide

2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 3648729) has the molecular formula C23H15ClF2N2OS and a molecular weight of 440.90 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID3648729
Molecular FormulaC23H15ClF2N2OS
Molecular Weight440.90 g/mol
Exact Mass440.06
IUPAC Name2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccc(F)cc1F
InChIInChI=1S/C23H15ClF2N2OS/c24-17-9-5-4-8-16(17)23-28-22(14-6-2-1-3-7-14)20(30-23)13-21(29)27-19-11-10-15(25)12-18(19)26/h1-12H,13H2,(H,27,29)
InChIKeyRVOLWXXNFWVNDM-UHFFFAOYSA-N
XLogP6.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.90
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dichlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 159765786
[2-(2-chloro-4-fluorophenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177760
N-(2,4-difluorophenyl)-3-(4,5-diphenyl-1,3-oxazol-2-yl)propanamide
CID 43038655
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2,4-difluorophenyl)propanamide
CID 100757698
2-[4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]acetic acid
CID 160806003
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229200
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
N-(2,4-difluorophenyl)-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)acetamide
CID 110410212
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 4562852
2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)-1,3-thiazol-5-yl]acetic acid
CID 59384906
N-(2,4-difluorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679748
N-(5-acetamido-2-chlorophenyl)-2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 55916212

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide (CID 3648729) is 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide is O=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is RVOLWXXNFWVNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2OS/c24-17-9-5-4-8-16(17)23-28-22(14-6-2-1-3-7-14)20(30-23)13-21(29)27-19-11-10-15(25)12-18(19)26/h1-12H,13H2,(H,27,29).
What are the key properties of 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide?
2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 440.90 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 3648729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).