N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide

C21H21FN2O2S — CID 46943651

IUPACN-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1Cn1c(C)c(C(=O)N(C)Cc2ccc(F)cc2)sc1=O
InChIInChI=1S/C21H21FN2O2S/c1-14-6-4-5-7-17(14)13-24-15(2)19(27-21(24)26)20(25)23(3)12-16-8-10-18(22)11-9-16/h4-11H,12-13H2,1-3H3
InChIKeyVQZAXICGXGRISI-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.99
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (PubChem CID 46943651) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
PubChem CID46943651
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1Cn1c(C)c(C(=O)N(C)Cc2ccc(F)cc2)sc1=O
InChIInChI=1S/C21H21FN2O2S/c1-14-6-4-5-7-17(14)13-24-15(2)19(27-21(24)26)20(25)23(3)12-16-8-10-18(22)11-9-16/h4-11H,12-13H2,1-3H3
InChIKeyVQZAXICGXGRISI-UHFFFAOYSA-N
XLogP3.99
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide (CID 46943651) is N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is Cc1ccccc1Cn1c(C)c(C(=O)N(C)Cc2ccc(F)cc2)sc1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
The InChIKey is VQZAXICGXGRISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14-6-4-5-7-17(14)13-24-15(2)19(27-21(24)26)20(25)23(3)12-16-8-10-18(22)11-9-16/h4-11H,12-13H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N,4-dimethyl-3-[(2-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).