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

C17H16FN3OS — CID 9174059

IUPAC2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1cccc(F)c1
InChIInChI=1S/C17H16FN3OS/c1-10-6-14(15-9-23-17(20-15)8-16(19)22)11(2)21(10)13-5-3-4-12(18)7-13/h3-7,9H,8H2,1-2H3,(H2,19,22)
InChIKeyOYRCGPXLMWZCPE-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.38
Rot. Bonds4

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

2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 9174059) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID9174059
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1cccc(F)c1
InChIInChI=1S/C17H16FN3OS/c1-10-6-14(15-9-23-17(20-15)8-16(19)22)11(2)21(10)13-5-3-4-12(18)7-13/h3-7,9H,8H2,1-2H3,(H2,19,22)
InChIKeyOYRCGPXLMWZCPE-UHFFFAOYSA-N
XLogP3.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.38
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-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9173988
4-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-1,3-thiazol-2-amine
CID 8878280
2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963602
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966432
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-imidazo[2,1-b][1,3]thiazol-6-ylacetate
CID 8818121
2-[4-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-5-methyl-1,3-thiazol-2-yl]acetamide
CID 9174035
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
4-[3-(2-benzyl-1,3-thiazol-4-yl)-2,5-dimethylpyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 24505670
[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 7175180
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 149292055

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide (CID 9174059) is 2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide is Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1cccc(F)c1.
What is the InChIKey of 2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OYRCGPXLMWZCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-10-6-14(15-9-23-17(20-15)8-16(19)22)11(2)21(10)13-5-3-4-12(18)7-13/h3-7,9H,8H2,1-2H3,(H2,19,22).
What are the key properties of 2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide?
2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9174059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).