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

C11H17N3OS2 — CID 66420895

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCc1nc(NC(=O)CC2CSCCN2)sc1C
InChIInChI=1S/C11H17N3OS2/c1-7-8(2)17-11(13-7)14-10(15)5-9-6-16-4-3-12-9/h9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyZUOPITPGJPXEDN-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.79
Rot. Bonds3

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

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 66420895) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID66420895
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESCc1nc(NC(=O)CC2CSCCN2)sc1C
InChIInChI=1S/C11H17N3OS2/c1-7-8(2)17-11(13-7)14-10(15)5-9-6-16-4-3-12-9/h9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyZUOPITPGJPXEDN-UHFFFAOYSA-N
XLogP1.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942335
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119937303
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942290
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 119936088
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934878
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119938862
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119941368
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-thiomorpholin-3-ylacetamide
CID 114155796
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119935123

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide (CID 66420895) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide is Cc1nc(NC(=O)CC2CSCCN2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is ZUOPITPGJPXEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-7-8(2)17-11(13-7)14-10(15)5-9-6-16-4-3-12-9/h9,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 271.41 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).