4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen

C21H25N3O2S — CID 144822338

IUPAC4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1.[H][H].[H][H]
InChIInChI=1S/C21H21N3O2S.2H2/c1-12-9-13(2)19(14(3)10-12)18-11-27-21(23-18)24-20(26)16-5-7-17(8-6-16)22-15(4)25;;/h5-11H,1-4H3,(H,22,25)(H,23,24,26);2*1H
InChIKeyHCTBBEXTLHTCCE-UHFFFAOYSA-N
MW383.52 g/mol
LogP5.44
Rot. Bonds4

About 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen

4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen (PubChem CID 144822338) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
PubChem CID144822338
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen
SMILESCC(=O)Nc1ccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1.[H][H].[H][H]
InChIInChI=1S/C21H21N3O2S.2H2/c1-12-9-13(2)19(14(3)10-12)18-11-27-21(23-18)24-20(26)16-5-7-17(8-6-16)22-15(4)25;;/h5-11H,1-4H3,(H,22,25)(H,23,24,26);2*1H
InChIKeyHCTBBEXTLHTCCE-UHFFFAOYSA-N
XLogP5.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.52
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 24597114
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
4-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 2090772
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442428
4-acetamido-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 134041748
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
4-acetamido-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 2463732
4-chloro-N-[3-oxo-3-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]propyl]benzamide
CID 16550158

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen?
The IUPAC name of 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen (CID 144822338) is 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen.
What is the SMILES notation for 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen?
The canonical SMILES for 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen is CC(=O)Nc1ccc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1.[H][H].[H][H].
What is the InChIKey of 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen?
The InChIKey is HCTBBEXTLHTCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S.2H2/c1-12-9-13(2)19(14(3)10-12)18-11-27-21(23-18)24-20(26)16-5-7-17(8-6-16)22-15(4)25;;/h5-11H,1-4H3,(H,22,25)(H,23,24,26);2*1H.
What are the key properties of 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen?
4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen has a molecular weight of 383.52 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide;molecular hydrogen is sourced from PubChem (CID 144822338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).