N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

C19H13F5N2O2S — CID 24524482

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCOc1ccc(-c2nc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)sc2C)cc1
InChIInChI=1S/C19H13F5N2O2S/c1-8-18(9-3-5-10(28-2)6-4-9)26-19(29-8)25-12(27)7-11-13(20)15(22)17(24)16(23)14(11)21/h3-6H,7H2,1-2H3,(H,25,26,27)
InChIKeyJONZGLAACYSPEX-UHFFFAOYSA-N
MW428.38 g/mol
LogP5.00
Rot. Bonds5

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (PubChem CID 24524482) has the molecular formula C19H13F5N2O2S and a molecular weight of 428.38 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
PubChem CID24524482
Molecular FormulaC19H13F5N2O2S
Molecular Weight428.38 g/mol
Exact Mass428.06
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
SMILESCOc1ccc(-c2nc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)sc2C)cc1
InChIInChI=1S/C19H13F5N2O2S/c1-8-18(9-3-5-10(28-2)6-4-9)26-19(29-8)25-12(27)7-11-13(20)15(22)17(24)16(23)14(11)21/h3-6H,7H2,1-2H3,(H,25,26,27)
InChIKeyJONZGLAACYSPEX-UHFFFAOYSA-N
XLogP5.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
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N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
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CID 16799558
N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134028765
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
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CID 41107811
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071
ethyl 2-[[2-(2,3,4,5,6-pentafluorophenyl)acetyl]amino]-4-phenyl-1,3-thiazole-5-carboxylate
CID 16575050
7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2102510
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide (CID 24524482) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is COc1ccc(-c2nc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
The InChIKey is JONZGLAACYSPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N2O2S/c1-8-18(9-3-5-10(28-2)6-4-9)26-19(29-8)25-12(27)7-11-13(20)15(22)17(24)16(23)14(11)21/h3-6H,7H2,1-2H3,(H,25,26,27).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide has a molecular weight of 428.38 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide is sourced from PubChem (CID 24524482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).