N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride

C18H22ClN5OS — CID 71713911

IUPACN-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1nc(CCc2ccc(CCc3cnc(N)[nH]3)cc2)cs1.Cl
InChIInChI=1S/C18H21N5OS.ClH/c1-12(24)21-18-23-16(11-25-18)9-7-14-4-2-13(3-5-14)6-8-15-10-20-17(19)22-15;/h2-5,10-11H,6-9H2,1H3,(H3,19,20,22)(H,21,23,24);1H
InChIKeyXJJOUTSZDUKCFW-UHFFFAOYSA-N
MW391.93 g/mol
LogP3.40
Rot. Bonds7

About N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride

N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (PubChem CID 71713911) has the molecular formula C18H22ClN5OS and a molecular weight of 391.93 g/mol. Its IUPAC name is N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
PubChem CID71713911
Molecular FormulaC18H22ClN5OS
Molecular Weight391.93 g/mol
Exact Mass391.12
IUPAC NameN-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
SMILESCC(=O)Nc1nc(CCc2ccc(CCc3cnc(N)[nH]3)cc2)cs1.Cl
InChIInChI=1S/C18H21N5OS.ClH/c1-12(24)21-18-23-16(11-25-18)9-7-14-4-2-13(3-5-14)6-8-15-10-20-17(19)22-15;/h2-5,10-11H,6-9H2,1H3,(H3,19,20,22)(H,21,23,24);1H
InChIKeyXJJOUTSZDUKCFW-UHFFFAOYSA-N
XLogP3.40
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.93
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;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-[4-[(2-Amino-1H-imidazol-5-yl)methyl]phenethyl]thiazol-2-yl]acetamide Hydrochloride
CID 71713910
(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 155515737
N-(4-methyl-1,3-thiazol-2-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1080938
2-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-N-1,3-thiazol-2-ylacetamide
CID 1248586
2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole
CID 10567030
5-[1H-imidazol-5-yl(phenyl)methyl]-2,4-dimethyl-1,3-thiazole
CID 10635686
3-p-Tolyl-1-[(4-p-tolyl-thiazol-2-ylcarbamoyl)-methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16681816
3-Phenyl-1-[(4-p-tolyl-thiazol-2-ylcarbamoyl)-methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16745875
3-(3,4-difluorophenyl)-N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-(1,3-thiazol-2-yl)propanamide
CID 25149246
N1-[3-(1H-Imidazol-4-yl)propyl]-N2-[3-phenyl-3-(thiazol-2-yl)propanoyl]guanidine
CID 25149613
N-[4-[2-[4-(2-amino-1H-imidazol-5-yl)phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 71713908
1-[(4-Phenyl-thiazol-2-ylcarbamoyl)-methyl]-3-p-tolyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium
CID 16745829

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride (CID 71713911) is N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is CC(=O)Nc1nc(CCc2ccc(CCc3cnc(N)[nH]3)cc2)cs1.Cl.
What is the InChIKey of N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
The InChIKey is XJJOUTSZDUKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS.ClH/c1-12(24)21-18-23-16(11-25-18)9-7-14-4-2-13(3-5-14)6-8-15-10-20-17(19)22-15;/h2-5,10-11H,6-9H2,1H3,(H3,19,20,22)(H,21,23,24);1H.
What are the key properties of N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride?
N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride has a molecular weight of 391.93 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[2-(2-amino-1H-imidazol-5-yl)ethyl]phenyl]ethyl]-1,3-thiazol-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 71713911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).