2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide

C21H21N3O2S — CID 55705154

IUPAC2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)c(C)c1
InChIInChI=1S/C21H21N3O2S/c1-13-11-16(20(25)22-3)9-10-17(13)24-21(26)19-14(2)23-18(27-19)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyWYVIIBAGHWRBGZ-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.96
Rot. Bonds5

About 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide

2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 55705154) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID55705154
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)c(C)c1
InChIInChI=1S/C21H21N3O2S/c1-13-11-16(20(25)22-3)9-10-17(13)24-21(26)19-14(2)23-18(27-19)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,25)(H,24,26)
InChIKeyWYVIIBAGHWRBGZ-UHFFFAOYSA-N
XLogP3.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55705974
2-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 35534478
2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 91641589
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
3-ethoxy-N-[2-methyl-4-(methylcarbamoyl)phenyl]-5-phenylthiophene-2-carboxamide
CID 55796192
2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815770
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide (CID 55705154) is 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1ccc(NC(=O)c2sc(Cc3ccccc3)nc2C)c(C)c1.
What is the InChIKey of 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is WYVIIBAGHWRBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-13-11-16(20(25)22-3)9-10-17(13)24-21(26)19-14(2)23-18(27-19)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3,(H,22,25)(H,24,26).
What are the key properties of 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide?
2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55705154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).