2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

C13H23Cl2N3O2S — CID 120799857

IUPAC2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCc1csc(C(C)NC(=O)C(N)C2CCOCC2)n1.Cl.Cl
InChIInChI=1S/C13H21N3O2S.2ClH/c1-8-7-19-13(15-8)9(2)16-12(17)11(14)10-3-5-18-6-4-10;;/h7,9-11H,3-6,14H2,1-2H3,(H,16,17);2*1H
InChIKeyVXUGZRLAFWCAMB-UHFFFAOYSA-N
MW356.32 g/mol
LogP2.23
Rot. Bonds4

About 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (PubChem CID 120799857) has the molecular formula C13H23Cl2N3O2S and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
PubChem CID120799857
Molecular FormulaC13H23Cl2N3O2S
Molecular Weight356.32 g/mol
Exact Mass355.09
IUPAC Name2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
SMILESCc1csc(C(C)NC(=O)C(N)C2CCOCC2)n1.Cl.Cl
InChIInChI=1S/C13H21N3O2S.2ClH/c1-8-7-19-13(15-8)9(2)16-12(17)11(14)10-3-5-18-6-4-10;;/h7,9-11H,3-6,14H2,1-2H3,(H,16,17);2*1H
InChIKeyVXUGZRLAFWCAMB-UHFFFAOYSA-N
XLogP2.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;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

2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120785883
2-amino-2-(oxan-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120799376
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-amino-N-(3-methylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783425
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785281
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride (CID 120799857) is 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is Cc1csc(C(C)NC(=O)C(N)C2CCOCC2)n1.Cl.Cl.
What is the InChIKey of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
The InChIKey is VXUGZRLAFWCAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S.2ClH/c1-8-7-19-13(15-8)9(2)16-12(17)11(14)10-3-5-18-6-4-10;;/h7,9-11H,3-6,14H2,1-2H3,(H,16,17);2*1H.
What are the key properties of 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride?
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride has a molecular weight of 356.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120799857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).