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

C24H22FN3OS — CID 8963602

IUPAC2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1
InChIInChI=1S/C24H22FN3OS/c1-15-8-4-6-10-20(15)26-23(29)13-24-27-21(14-30-24)18-12-16(2)28(17(18)3)22-11-7-5-9-19(22)25/h4-12,14H,13H2,1-3H3,(H,26,29)
InChIKeyUCESGUVKHYBFNM-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.85
Rot. Bonds5

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

2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 8963602) has the molecular formula C24H22FN3OS and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID8963602
Molecular FormulaC24H22FN3OS
Molecular Weight419.53 g/mol
Exact Mass419.15
IUPAC Name2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1
InChIInChI=1S/C24H22FN3OS/c1-15-8-4-6-10-20(15)26-23(29)13-24-27-21(14-30-24)18-12-16(2)28(17(18)3)22-11-7-5-9-19(22)25/h4-12,14H,13H2,1-3H3,(H,26,29)
InChIKeyUCESGUVKHYBFNM-UHFFFAOYSA-N
XLogP5.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17405571
2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963701
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9420940
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536
2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963597
N-(2,4-dimethylphenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9399915
N-(4-methylphenyl)-2-[4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 8962875
2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9174059

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 8963602) is 2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1.
What is the InChIKey of 2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is UCESGUVKHYBFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3OS/c1-15-8-4-6-10-20(15)26-23(29)13-24-27-21(14-30-24)18-12-16(2)28(17(18)3)22-11-7-5-9-19(22)25/h4-12,14H,13H2,1-3H3,(H,26,29).
What are the key properties of 2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8963602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).