2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride

C24H28ClN5O2S — CID 118723694

IUPAC2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride
SMILESCc1cc(NC(=O)c2ccccc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)sn1.Cl
InChIInChI=1S/C24H27N5O2S.ClH/c1-17-16-22(32-27-17)26-24(31)20-6-3-4-7-21(20)25-23(30)18-8-10-19(11-9-18)29-13-5-12-28(2)14-15-29;/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,25,30)(H,26,31);1H
InChIKeyALVJJEUJCWETGF-UHFFFAOYSA-N
MW486.04 g/mol
LogP4.52
Rot. Bonds5

About 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride

2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride (PubChem CID 118723694) has the molecular formula C24H28ClN5O2S and a molecular weight of 486.04 g/mol. Its IUPAC name is 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride
PubChem CID118723694
Molecular FormulaC24H28ClN5O2S
Molecular Weight486.04 g/mol
Exact Mass485.17
IUPAC Name2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride
SMILESCc1cc(NC(=O)c2ccccc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)sn1.Cl
InChIInChI=1S/C24H27N5O2S.ClH/c1-17-16-22(32-27-17)26-24(31)20-6-3-4-7-21(20)25-23(30)18-8-10-19(11-9-18)29-13-5-12-28(2)14-15-29;/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,25,30)(H,26,31);1H
InChIKeyALVJJEUJCWETGF-UHFFFAOYSA-N
XLogP4.52
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.04
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride 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-methyl-3-[({3-[(4-methylpiperazin-1-yl)methyl]phenyl}carbonyl)amino]phenyl}-3-phenylisothiazole-5-carboxamide
CID 24776311
4-Isothiazolecarboxanilide, 5-benzamido-3-methyl-
CID 32181
4-Isothiazolecarboxamide, 5-benzamido-N-cyclohexyl-3-methyl-
CID 32182
N-(3-methylisothiazol-5-yl)-3-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanamide
CID 49720315
N,3-dimethyl-5-(methylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-thiazole-4-carboxamide
CID 135888535
(R)-4-(1-amino-4-methyl-1-oxopentan-2-ylamino)-3-fluoro-2-(3-methylisothiazol-5-ylamino)benzamide
CID 57334186
4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 57334187
4-[[(2R)-1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 57334188
4-[(1-Amino-1-oxo-3-phenylpropan-2-yl)amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 67508568
(R)-4-(1-amino-4-methyl-1-oxopentan-2-ylamino)-2-fluoro-6-(3-methylisothiazol-5-ylamino)benzamide
CID 67508664
4-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-2-fluoro-6-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 67508668
4-[[(2R)-1-amino-3-(3-fluorophenyl)-1-oxopropan-2-yl]amino]-5-fluoro-2-[(3-methyl-1,2-thiazol-5-yl)amino]benzamide
CID 67509539

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride?
The IUPAC name of 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride (CID 118723694) is 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride?
The canonical SMILES for 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride is Cc1cc(NC(=O)c2ccccc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)sn1.Cl.
What is the InChIKey of 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride?
The InChIKey is ALVJJEUJCWETGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.ClH/c1-17-16-22(32-27-17)26-24(31)20-6-3-4-7-21(20)25-23(30)18-8-10-19(11-9-18)29-13-5-12-28(2)14-15-29;/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,25,30)(H,26,31);1H.
What are the key properties of 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride?
2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride has a molecular weight of 486.04 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino]-N-(3-methyl-1,2-thiazol-5-yl)benzamide;hydrochloride is sourced from PubChem (CID 118723694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).