N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide

C26H23FN2OS — CID 2194780

IUPACN-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide
SMILESCCc1sc(N(C(=O)Cc2ccccc2)c2ccccc2F)nc1-c1ccc(C)cc1
InChIInChI=1S/C26H23FN2OS/c1-3-23-25(20-15-13-18(2)14-16-20)28-26(31-23)29(22-12-8-7-11-21(22)27)24(30)17-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3
InChIKeyXBLHLFIWLVZQOL-UHFFFAOYSA-N
MW430.55 g/mol
LogP6.73
Rot. Bonds6

About N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide

N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide (PubChem CID 2194780) has the molecular formula C26H23FN2OS and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide
PubChem CID2194780
Molecular FormulaC26H23FN2OS
Molecular Weight430.55 g/mol
Exact Mass430.15
IUPAC NameN-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide
SMILESCCc1sc(N(C(=O)Cc2ccccc2)c2ccccc2F)nc1-c1ccc(C)cc1
InChIInChI=1S/C26H23FN2OS/c1-3-23-25(20-15-13-18(2)14-16-20)28-26(31-23)29(22-12-8-7-11-21(22)27)24(30)17-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3
InChIKeyXBLHLFIWLVZQOL-UHFFFAOYSA-N
XLogP6.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide?
The IUPAC name of N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide (CID 2194780) is N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide.
What is the SMILES notation for N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide?
The canonical SMILES for N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide is CCc1sc(N(C(=O)Cc2ccccc2)c2ccccc2F)nc1-c1ccc(C)cc1.
What is the InChIKey of N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide?
The InChIKey is XBLHLFIWLVZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2OS/c1-3-23-25(20-15-13-18(2)14-16-20)28-26(31-23)29(22-12-8-7-11-21(22)27)24(30)17-19-9-5-4-6-10-19/h4-16H,3,17H2,1-2H3.
What are the key properties of N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide?
N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide has a molecular weight of 430.55 g/mol, XLogP of 6.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-N-(2-fluorophenyl)-2-phenylacetamide is sourced from PubChem (CID 2194780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).