2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide

C19H15FN4OS2 — CID 27477369

IUPAC2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C19H15FN4OS2/c1-12-9-17(22-18(25)10-13-4-6-14(20)7-5-13)24(23-12)19-21-15(11-27-19)16-3-2-8-26-16/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyIAFRFZBZQDGYOF-UHFFFAOYSA-N
MW398.49 g/mol
LogP4.69
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide

2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (PubChem CID 27477369) has the molecular formula C19H15FN4OS2 and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
PubChem CID27477369
Molecular FormulaC19H15FN4OS2
Molecular Weight398.49 g/mol
Exact Mass398.07
IUPAC Name2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C19H15FN4OS2/c1-12-9-17(22-18(25)10-13-4-6-14(20)7-5-13)24(23-12)19-21-15(11-27-19)16-3-2-8-26-16/h2-9,11H,10H2,1H3,(H,22,25)
InChIKeyIAFRFZBZQDGYOF-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474408
(2S)-3-(4-fluorophenyl)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]-2-(1,3-thiazol-5-ylmethylamino)propanamide
CID 73353863
2-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-4-phenyl-1,3-thiazol-5-yl}acetohydrazide
CID 1472827
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 15945543
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 118392840
1,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 2463063
1-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135416948
3-methyl-1-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135526339
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)-4-fluorobenzamide
CID 135881073
2,4-difluoro-N-(1-(4-isopropyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(thiophen-2-yl)-1H-pyrazol-5-yl)benzamide
CID 135912543
N-(2-cyclohexyl-5-methylpyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 155550023
Acetamide, N-(3-(4-methylphenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 1498356

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (CID 27477369) is 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is Cc1cc(NC(=O)Cc2ccc(F)cc2)n(-c2nc(-c3cccs3)cs2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is IAFRFZBZQDGYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS2/c1-12-9-17(22-18(25)10-13-4-6-14(20)7-5-13)24(23-12)19-21-15(11-27-19)16-3-2-8-26-16/h2-9,11H,10H2,1H3,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 398.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 27477369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).