N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide

C21H23N3OS — CID 84560554

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C21H23N3OS/c1-4-17-9-5-6-11-19(17)22-13-16-8-7-10-18(12-16)20(25)24-21-23-14(2)15(3)26-21/h5-12,22H,4,13H2,1-3H3,(H,23,24,25)
InChIKeyMNFFDNOPCZFESG-UHFFFAOYSA-N
MW365.50 g/mol
LogP5.19
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide (PubChem CID 84560554) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide
PubChem CID84560554
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C21H23N3OS/c1-4-17-9-5-6-11-19(17)22-13-16-8-7-10-18(12-16)20(25)24-21-23-14(2)15(3)26-21/h5-12,22H,4,13H2,1-3H3,(H,23,24,25)
InChIKeyMNFFDNOPCZFESG-UHFFFAOYSA-N
XLogP5.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562
3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
CID 84554523
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
N-(1-adamantyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84556609
[4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]phenyl] thiocyanate
CID 84554554
N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554519
2-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-3-methylbutanoic acid
CID 84556582

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide (CID 84560554) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1cccc(C(=O)Nc2nc(C)c(C)s2)c1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide?
The InChIKey is MNFFDNOPCZFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-4-17-9-5-6-11-19(17)22-13-16-8-7-10-18(12-16)20(25)24-21-23-14(2)15(3)26-21/h5-12,22H,4,13H2,1-3H3,(H,23,24,25).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide has a molecular weight of 365.50 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 84560554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).