2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride

C18H25Cl2N3OS — CID 119947232

IUPAC2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C18H23N3OS.2ClH/c19-15-9-5-4-8-14(15)18(22)20-11-10-17-21-16(12-23-17)13-6-2-1-3-7-13;;/h4-5,8-9,12-13H,1-3,6-7,10-11,19H2,(H,20,22);2*1H
InChIKeyZOAZXUKGIUETRK-UHFFFAOYSA-N
MW402.39 g/mol
LogP4.59
Rot. Bonds5

About 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride

2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride (PubChem CID 119947232) has the molecular formula C18H25Cl2N3OS and a molecular weight of 402.39 g/mol. Its IUPAC name is 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride
PubChem CID119947232
Molecular FormulaC18H25Cl2N3OS
Molecular Weight402.39 g/mol
Exact Mass401.11
IUPAC Name2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1C(=O)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C18H23N3OS.2ClH/c19-15-9-5-4-8-14(15)18(22)20-11-10-17-21-16(12-23-17)13-6-2-1-3-7-13;;/h4-5,8-9,12-13H,1-3,6-7,10-11,19H2,(H,20,22);2*1H
InChIKeyZOAZXUKGIUETRK-UHFFFAOYSA-N
XLogP4.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride 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

4-amino-5-chloro-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-methoxybenzamide
CID 119886652
3-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119886645
N-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 121018813
4-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 119886656
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 120704485
2-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185022
(2R)-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 96515887
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119945219
2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(1,1-dioxothian-3-yl)acetamide
CID 138994800
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride (CID 119947232) is 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride is Cl.Cl.Nc1ccccc1C(=O)NCCc1nc(C2CCCCC2)cs1.
What is the InChIKey of 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride?
The InChIKey is ZOAZXUKGIUETRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS.2ClH/c19-15-9-5-4-8-14(15)18(22)20-11-10-17-21-16(12-23-17)13-6-2-1-3-7-13;;/h4-5,8-9,12-13H,1-3,6-7,10-11,19H2,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride?
2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride has a molecular weight of 402.39 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119947232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).