2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide

C16H21N3OS — CID 104547969

IUPAC2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1CCNC)c1nccs1
InChIInChI=1S/C16H21N3OS/c1-3-14(16-18-10-11-21-16)19-15(20)13-7-5-4-6-12(13)8-9-17-2/h4-7,10-11,14,17H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyXVGOGHYMFPKNCE-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.79
Rot. Bonds7

About 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide

2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 104547969) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID104547969
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccccc1CCNC)c1nccs1
InChIInChI=1S/C16H21N3OS/c1-3-14(16-18-10-11-21-16)19-15(20)13-7-5-4-6-12(13)8-9-17-2/h4-7,10-11,14,17H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyXVGOGHYMFPKNCE-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]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

2-[[2-[2-(methylamino)ethyl]benzoyl]amino]butanoic acid
CID 104547663
N-[(2S)-1-hydroxybutan-2-yl]-2-[2-(methylamino)ethyl]benzamide
CID 107222500
2-[2-(methylamino)ethyl]-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 104548160
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 114923771
N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzenecarboximidamide
CID 77045231
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
2-amino-3-phenyl-N-[1-(1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119890751
6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide
CID 72841018
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 107185291
N-(4-hydroxypentan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104548247

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide (CID 104547969) is 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide is CCC(NC(=O)c1ccccc1CCNC)c1nccs1.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is XVGOGHYMFPKNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-14(16-18-10-11-21-16)19-15(20)13-7-5-4-6-12(13)8-9-17-2/h4-7,10-11,14,17H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 303.43 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 104547969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).