2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

C20H17FN2O3S — CID 75435366

IUPAC2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1C(=O)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C20H17FN2O3S/c1-12-18(27-20(23-12)13-7-9-14(21)10-8-13)19(25)22-11-16(24)15-5-3-4-6-17(15)26-2/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyZLWCQMINGYETKK-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.88
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 75435366) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID75435366
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1C(=O)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C20H17FN2O3S/c1-12-18(27-20(23-12)13-7-9-14(21)10-8-13)19(25)22-11-16(24)15-5-3-4-6-17(15)26-2/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyZLWCQMINGYETKK-UHFFFAOYSA-N
XLogP3.88
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084292
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24552841
2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38556512
2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278
2-(4-fluorophenyl)-N-(5-hydroxypentyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788207
N-[(2-bromo-5-fluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55900094
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 30550510

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 75435366) is 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccccc1C(=O)CNC(=O)c1sc(-c2ccc(F)cc2)nc1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ZLWCQMINGYETKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c1-12-18(27-20(23-12)13-7-9-14(21)10-8-13)19(25)22-11-16(24)15-5-3-4-6-17(15)26-2/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 384.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75435366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).