2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C22H23FN2O2S — CID 38556512

IUPAC2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccccc1COC(C)C
InChIInChI=1S/C22H23FN2O2S/c1-14(2)27-13-18-7-5-4-6-17(18)12-24-21(26)20-15(3)25-22(28-20)16-8-10-19(23)11-9-16/h4-11,14H,12-13H2,1-3H3,(H,24,26)
InChIKeyCCPNQCAYMREZHV-UHFFFAOYSA-N
MW398.50 g/mol
LogP5.11
Rot. Bonds7

About 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 38556512) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID38556512
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC Name2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccccc1COC(C)C
InChIInChI=1S/C22H23FN2O2S/c1-14(2)27-13-18-7-5-4-6-17(18)12-24-21(26)20-15(3)25-22(28-20)16-8-10-19(23)11-9-16/h4-11,14H,12-13H2,1-3H3,(H,24,26)
InChIKeyCCPNQCAYMREZHV-UHFFFAOYSA-N
XLogP5.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
2-(4-fluorophenyl)-4-methyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120828278
N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084292
N-[(2R)-2-(ethylamino)propyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120650920
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 75435366
N-[(2-bromo-5-fluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55900094
2-(4-fluorophenyl)-4-methyl-N'-(2-methylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 46636454
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-5-(propan-2-yloxymethyl)furan-2-carboxamide
CID 90546562
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
2-(4-fluorophenyl)-4-methyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 24552841
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 9383871

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 38556512) is 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1ccccc1COC(C)C.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CCPNQCAYMREZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-14(2)27-13-18-7-5-4-6-17(18)12-24-21(26)20-15(3)25-22(28-20)16-8-10-19(23)11-9-16/h4-11,14H,12-13H2,1-3H3,(H,24,26).
What are the key properties of 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 38556512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).