N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C11H16ClN3O2S2 — CID 119939508

IUPACN-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(=O)c1cnc(NC(=O)CC2CSCCN2)s1.Cl
InChIInChI=1S/C11H15N3O2S2.ClH/c1-7(15)9-5-13-11(18-9)14-10(16)4-8-6-17-3-2-12-8;/h5,8,12H,2-4,6H2,1H3,(H,13,14,16);1H
InChIKeyGBVBUXVVBLTDCU-UHFFFAOYSA-N
MW321.86 g/mol
LogP1.80
Rot. Bonds4

About N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939508) has the molecular formula C11H16ClN3O2S2 and a molecular weight of 321.86 g/mol. Its IUPAC name is N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939508
Molecular FormulaC11H16ClN3O2S2
Molecular Weight321.86 g/mol
Exact Mass321.04
IUPAC NameN-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(=O)c1cnc(NC(=O)CC2CSCCN2)s1.Cl
InChIInChI=1S/C11H15N3O2S2.ClH/c1-7(15)9-5-13-11(18-9)14-10(16)4-8-6-17-3-2-12-8;/h5,8,12H,2-4,6H2,1H3,(H,13,14,16);1H
InChIKeyGBVBUXVVBLTDCU-UHFFFAOYSA-N
XLogP1.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.86
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 66420895
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936602
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-(5-fluoro-2-pyridinyl)-2-thiomorpholin-3-ylacetamide
CID 66420730
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 119936088
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119941368
N-(3,5-difluorophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935785
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-(6-oxo-1H-pyridazin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 116787040
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421681
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934878

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939508) is N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(=O)c1cnc(NC(=O)CC2CSCCN2)s1.Cl.
What is the InChIKey of N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is GBVBUXVVBLTDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2.ClH/c1-7(15)9-5-13-11(18-9)14-10(16)4-8-6-17-3-2-12-8;/h5,8,12H,2-4,6H2,1H3,(H,13,14,16);1H.
What are the key properties of N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 321.86 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).