N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide

C13H21N3OS2 — CID 119942335

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nc(CCNC(=O)CC2CSCCN2)sc1C
InChIInChI=1S/C13H21N3OS2/c1-9-10(2)19-13(16-9)3-4-15-12(17)7-11-8-18-6-5-14-11/h11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyIHNIDZZBEUJRGI-UHFFFAOYSA-N
MW299.47 g/mol
LogP1.51
Rot. Bonds5

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942335) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942335
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1nc(CCNC(=O)CC2CSCCN2)sc1C
InChIInChI=1S/C13H21N3OS2/c1-9-10(2)19-13(16-9)3-4-15-12(17)7-11-8-18-6-5-14-11/h11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyIHNIDZZBEUJRGI-UHFFFAOYSA-N
XLogP1.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide 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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420895
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942290
N-[2-(1H-imidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 113269028
N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
4-[2-[(2-thiomorpholin-3-ylacetyl)amino]ethyl]benzoic acid
CID 66422869
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940828
N-[2-(methanesulfonamido)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421416
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-(2-ethylsulfinylethyl)-2-thiomorpholin-3-ylacetamide
CID 115746776

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119942335) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide is Cc1nc(CCNC(=O)CC2CSCCN2)sc1C.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is IHNIDZZBEUJRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-9-10(2)19-13(16-9)3-4-15-12(17)7-11-8-18-6-5-14-11/h11,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 299.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).