2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide

C21H21N3O2S — CID 78775254

IUPAC2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C21H21N3O2S/c1-14-19(27-15(2)23-14)21(26)24-18-11-7-6-10-17(18)20(25)22-13-12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyTYNWXPPDFXSSKQ-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.98
Rot. Bonds6

About 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 78775254) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID78775254
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)s1
InChIInChI=1S/C21H21N3O2S/c1-14-19(27-15(2)23-14)21(26)24-18-11-7-6-10-17(18)20(25)22-13-12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyTYNWXPPDFXSSKQ-UHFFFAOYSA-N
XLogP3.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 78775254) is 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is TYNWXPPDFXSSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-14-19(27-15(2)23-14)21(26)24-18-11-7-6-10-17(18)20(25)22-13-12-16-8-4-3-5-9-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(2-phenylethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78775254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).