4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide

C21H21N3O2S — CID 46820023

IUPAC4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(CNC(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H21N3O2S/c1-3-15-4-8-17(9-5-15)19-13-27-21(23-19)24-20(26)18-10-6-16(7-11-18)12-22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyTVLQSGYQAVGYAM-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.26
Rot. Bonds6

About 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide

4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 46820023) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID46820023
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCc1ccc(-c2csc(NC(=O)c3ccc(CNC(C)=O)cc3)n2)cc1
InChIInChI=1S/C21H21N3O2S/c1-3-15-4-8-17(9-5-15)19-13-27-21(23-19)24-20(26)18-10-6-16(7-11-18)12-22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyTVLQSGYQAVGYAM-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 5212539
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 108762417
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
4-(acetamidomethyl)-N-(4-acetyl-1,3-thiazol-2-yl)benzamide
CID 43033822
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(3,4-dimethylbenzoyl)benzamide
CID 25483703

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 46820023) is 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide is CCc1ccc(-c2csc(NC(=O)c3ccc(CNC(C)=O)cc3)n2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is TVLQSGYQAVGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-3-15-4-8-17(9-5-15)19-13-27-21(23-19)24-20(26)18-10-6-16(7-11-18)12-22-14(2)25/h4-11,13H,3,12H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide?
4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 46820023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).