4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

C23H26N2O2S2 — CID 46943030

IUPAC4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCSc1ccc(Cn2c(C)c(C(=O)NCc3ccc(C(C)C)cc3)sc2=O)cc1
InChIInChI=1S/C23H26N2O2S2/c1-15(2)19-9-5-17(6-10-19)13-24-22(26)21-16(3)25(23(27)29-21)14-18-7-11-20(28-4)12-8-18/h5-12,15H,13-14H2,1-4H3,(H,24,26)
InChIKeyOZSFCKOPUAIDNZ-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.04
Rot. Bonds7

About 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide

4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 46943030) has the molecular formula C23H26N2O2S2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID46943030
Molecular FormulaC23H26N2O2S2
Molecular Weight426.61 g/mol
Exact Mass426.14
IUPAC Name4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCSc1ccc(Cn2c(C)c(C(=O)NCc3ccc(C(C)C)cc3)sc2=O)cc1
InChIInChI=1S/C23H26N2O2S2/c1-15(2)19-9-5-17(6-10-19)13-24-22(26)21-16(3)25(23(27)29-21)14-18-7-11-20(28-4)12-8-18/h5-12,15H,13-14H2,1-4H3,(H,24,26)
InChIKeyOZSFCKOPUAIDNZ-UHFFFAOYSA-N
XLogP5.04
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 46943030) is 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is CSc1ccc(Cn2c(C)c(C(=O)NCc3ccc(C(C)C)cc3)sc2=O)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OZSFCKOPUAIDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S2/c1-15(2)19-9-5-17(6-10-19)13-24-22(26)21-16(3)25(23(27)29-21)14-18-7-11-20(28-4)12-8-18/h5-12,15H,13-14H2,1-4H3,(H,24,26).
What are the key properties of 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide?
4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 426.61 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-N-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46943030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).