N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide

C20H20N4O2S — CID 51258065

IUPACN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)Nc2nc(CC(N)=O)cs2)c1C
InChIInChI=1S/C20H20N4O2S/c1-12-6-5-9-16(13(12)2)23-17-8-4-3-7-15(17)19(26)24-20-22-14(11-27-20)10-18(21)25/h3-9,11,23H,10H2,1-2H3,(H2,21,25)(H,22,24,26)
InChIKeyJJFUFVHTYISRNR-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.78
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide (PubChem CID 51258065) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide
PubChem CID51258065
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide
SMILESCc1cccc(Nc2ccccc2C(=O)Nc2nc(CC(N)=O)cs2)c1C
InChIInChI=1S/C20H20N4O2S/c1-12-6-5-9-16(13(12)2)23-17-8-4-3-7-15(17)19(26)24-20-22-14(11-27-20)10-18(21)25/h3-9,11,23H,10H2,1-2H3,(H2,21,25)(H,22,24,26)
InChIKeyJJFUFVHTYISRNR-UHFFFAOYSA-N
XLogP3.78
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(4-fluoroanilino)benzamide
CID 18139533
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2-methylphenyl)acetamide
CID 51258130
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(phenoxymethyl)benzamide
CID 24646052
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 18153647
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-benzamidobenzamide
CID 24658588
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 33391273
2-(2,3-dimethylanilino)-N-(2-fluorophenyl)benzamide
CID 18273886
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-chloro-2-methoxybenzamide
CID 33390940
3-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-N,2-dimethylbenzamide
CID 46461718
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 107097418

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide (CID 51258065) is N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide is Cc1cccc(Nc2ccccc2C(=O)Nc2nc(CC(N)=O)cs2)c1C.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide?
The InChIKey is JJFUFVHTYISRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-12-6-5-9-16(13(12)2)23-17-8-4-3-7-15(17)19(26)24-20-22-14(11-27-20)10-18(21)25/h3-9,11,23H,10H2,1-2H3,(H2,21,25)(H,22,24,26).
What are the key properties of N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide?
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide has a molecular weight of 380.47 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-2-(2,3-dimethylanilino)benzamide is sourced from PubChem (CID 51258065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).