3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide

C18H19FN4O2S — CID 129027656

IUPAC3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESCc1c(F)cccc1Cc1sc(-c2ccnn2C)nc1CCC(=O)NO
InChIInChI=1S/C18H19FN4O2S/c1-11-12(4-3-5-13(11)19)10-16-14(6-7-17(24)22-25)21-18(26-16)15-8-9-20-23(15)2/h3-5,8-9,25H,6-7,10H2,1-2H3,(H,22,24)
InChIKeyBOIYDWLPTPTUGG-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.02
Rot. Bonds6

About 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide

3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide (PubChem CID 129027656) has the molecular formula C18H19FN4O2S and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide
PubChem CID129027656
Molecular FormulaC18H19FN4O2S
Molecular Weight374.44 g/mol
Exact Mass374.12
IUPAC Name3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide
SMILESCc1c(F)cccc1Cc1sc(-c2ccnn2C)nc1CCC(=O)NO
InChIInChI=1S/C18H19FN4O2S/c1-11-12(4-3-5-13(11)19)10-16-14(6-7-17(24)22-25)21-18(26-16)15-8-9-20-23(15)2/h3-5,8-9,25H,6-7,10H2,1-2H3,(H,22,24)
InChIKeyBOIYDWLPTPTUGG-UHFFFAOYSA-N
XLogP3.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-methyl-2-(2-methylpyrazol-3-yl)-1,3-thiazol-5-yl]ethanone
CID 114554206
2-[4-[(3-fluoro-2-methylphenyl)methyl]-2-(4-fluorophenyl)pyrimidin-5-yl]-N-hydroxyacetamide
CID 129027649
2-[1-(2-chlorophenyl)-5-[2-(3-fluoro-2-methylphenyl)ethyl]pyrazol-4-yl]-N-hydroxyacetamide
CID 146220790
2-[5-[2-(3-fluoro-2-methylphenyl)ethyl]-1-(4-methylphenyl)pyrazol-4-yl]-N-hydroxyacetamide
CID 146220783
5-(2-chloro-6-fluorophenyl)-1-methylpyrazole
CID 175129840
2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 114553888
2-(2-fluorophenyl)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 121123607
N-[(2S)-1-amino-3-(2-fluorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 24997125
3-(2-chloro-3-fluorophenyl)-N-methylpropanamide
CID 71030233
3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105165
5-[(3-fluoro-2-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065750
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329182

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The IUPAC name of 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide (CID 129027656) is 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide.
What is the SMILES notation for 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The canonical SMILES for 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide is Cc1c(F)cccc1Cc1sc(-c2ccnn2C)nc1CCC(=O)NO.
What is the InChIKey of 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide?
The InChIKey is BOIYDWLPTPTUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2S/c1-11-12(4-3-5-13(11)19)10-16-14(6-7-17(24)22-25)21-18(26-16)15-8-9-20-23(15)2/h3-5,8-9,25H,6-7,10H2,1-2H3,(H,22,24).
What are the key properties of 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide?
3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide has a molecular weight of 374.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluoro-2-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)-1,3-thiazol-4-yl]-N-hydroxypropanamide is sourced from PubChem (CID 129027656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).