N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide

C12H19N3OS2 — CID 119939621

IUPACN-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCN(C(=O)CC1CSCCN1)c1nc(C)cs1
InChIInChI=1S/C12H19N3OS2/c1-3-15(12-14-9(2)7-18-12)11(16)6-10-8-17-5-4-13-10/h7,10,13H,3-6,8H2,1-2H3
InChIKeyJCMMZAMHCZGNGG-UHFFFAOYSA-N
MW285.44 g/mol
LogP1.90
Rot. Bonds4

About N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide

N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119939621) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119939621
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC NameN-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCCN(C(=O)CC1CSCCN1)c1nc(C)cs1
InChIInChI=1S/C12H19N3OS2/c1-3-15(12-14-9(2)7-18-12)11(16)6-10-8-17-5-4-13-10/h7,10,13H,3-6,8H2,1-2H3
InChIKeyJCMMZAMHCZGNGG-UHFFFAOYSA-N
XLogP1.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide (CID 119939621) is N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide is CCN(C(=O)CC1CSCCN1)c1nc(C)cs1.
What is the InChIKey of N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is JCMMZAMHCZGNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-3-15(12-14-9(2)7-18-12)11(16)6-10-8-17-5-4-13-10/h7,10,13H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 285.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).