N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C19H17FN2O2S — CID 9192368

IUPACN-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C19H17FN2O2S/c1-3-24-16-7-5-4-6-15(16)22-18(23)17-12(2)21-19(25-17)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyHMAISAYODUSFTB-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.91
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 9192368) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID9192368
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC NameN-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C19H17FN2O2S/c1-3-24-16-7-5-4-6-15(16)22-18(23)17-12(2)21-19(25-17)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3,(H,22,23)
InChIKeyHMAISAYODUSFTB-UHFFFAOYSA-N
XLogP4.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 46626343
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142319
2-(2-ethoxyanilino)-N-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152843
N-[2-(cyclopropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27675364
N-[2-(difluoromethylsulfonyl)phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60599161
N-(2-fluorophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 23610162
N-(2-ethoxyphenyl)-5-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 110650287
2-(4-fluorophenyl)-N-(4-iodo-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788184
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275
N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666998

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 9192368) is N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccccc1NC(=O)c1sc(-c2ccc(F)cc2)nc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is HMAISAYODUSFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c1-3-24-16-7-5-4-6-15(16)22-18(23)17-12(2)21-19(25-17)13-8-10-14(20)11-9-13/h4-11H,3H2,1-2H3,(H,22,23).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9192368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).