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

C13H21N3OS2 — CID 119942195

IUPACN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCCc1nc(C(C)NC(=O)CC2CSCCN2)cs1
InChIInChI=1S/C13H21N3OS2/c1-3-13-16-11(8-19-13)9(2)15-12(17)6-10-7-18-5-4-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyYQTVAFNROYEUSY-UHFFFAOYSA-N
MW299.47 g/mol
LogP1.98
Rot. Bonds5

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

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119942195) has the molecular formula C13H21N3OS2 and a molecular weight of 299.47 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119942195
Molecular FormulaC13H21N3OS2
Molecular Weight299.47 g/mol
Exact Mass299.11
IUPAC NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCCc1nc(C(C)NC(=O)CC2CSCCN2)cs1
InChIInChI=1S/C13H21N3OS2/c1-3-13-16-11(8-19-13)9(2)15-12(17)6-10-7-18-5-4-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyYQTVAFNROYEUSY-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-N-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95620387
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119939022
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(1-phenyltriazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940587
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942310
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 119886508
N-[1-(2-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935389
N-(1-cyclopropylethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935575
N-[1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420480
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide (CID 119942195) is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide is CCc1nc(C(C)NC(=O)CC2CSCCN2)cs1.
What is the InChIKey of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is YQTVAFNROYEUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS2/c1-3-13-16-11(8-19-13)9(2)15-12(17)6-10-7-18-5-4-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide?
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 299.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119942195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).