N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride

C18H24ClN3O2S — CID 119774673

IUPACN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-12-17(15-7-6-13-4-3-5-14(13)10-15)21-18(24-12)20-16(22)11-19-8-9-23-2;/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,21,22);1H
InChIKeyUXQCEVTXCFMRLU-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.20
Rot. Bonds7

About N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride

N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (PubChem CID 119774673) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
PubChem CID119774673
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC NameN-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
SMILESCOCCNCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-12-17(15-7-6-13-4-3-5-14(13)10-15)21-18(24-12)20-16(22)11-19-8-9-23-2;/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,21,22);1H
InChIKeyUXQCEVTXCFMRLU-UHFFFAOYSA-N
XLogP3.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)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-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120630964
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,3-thiazol-2-amine
CID 8878555
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2H-indazol-3-yl)acetamide
CID 167913926
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 154862079
N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119787258
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
(2S,5R)-5-(aminomethyl)-N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120792190
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)acetamide
CID 35804890
2-(2-methoxyethylamino)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119781826
N-(1,3-benzothiazol-2-yl)-2-(2-methoxyethylamino)acetamide
CID 44753805

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The IUPAC name of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride (CID 119774673) is N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The canonical SMILES for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is COCCNCC(=O)Nc1nc(-c2ccc3c(c2)CCC3)c(C)s1.Cl.
What is the InChIKey of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
The InChIKey is UXQCEVTXCFMRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-12-17(15-7-6-13-4-3-5-14(13)10-15)21-18(24-12)20-16(22)11-19-8-9-23-2;/h6-7,10,19H,3-5,8-9,11H2,1-2H3,(H,20,21,22);1H.
What are the key properties of N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride?
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride is sourced from PubChem (CID 119774673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).