N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide

C11H17N3OS2 — CID 66421681

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ncc(CNC(=O)CC2CSCCN2)s1
InChIInChI=1S/C11H17N3OS2/c1-8-13-5-10(17-8)6-14-11(15)4-9-7-16-3-2-12-9/h5,9,12H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyJQGVZRPJEWWYIP-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.16
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 66421681) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID66421681
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide
SMILESCc1ncc(CNC(=O)CC2CSCCN2)s1
InChIInChI=1S/C11H17N3OS2/c1-8-13-5-10(17-8)6-14-11(15)4-9-7-16-3-2-12-9/h5,9,12H,2-4,6-7H2,1H3,(H,14,15)
InChIKeyJQGVZRPJEWWYIP-UHFFFAOYSA-N
XLogP1.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethylthiophen-2-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 103821107
N-[(2-methylpyrimidin-4-yl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422864
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114700218
N-(pyrimidin-4-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 114110925
N-(1,2-oxazol-5-ylmethyl)-2-thiomorpholin-3-ylacetamide
CID 106417266
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940336
N-(2,2-dimethylpropyl)-2-thiomorpholin-3-ylacetamide
CID 66422271
2-thiomorpholin-3-yl-N-(thiophen-3-ylmethyl)acetamide
CID 66422898
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119942596

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide (CID 66421681) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide is Cc1ncc(CNC(=O)CC2CSCCN2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is JQGVZRPJEWWYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c1-8-13-5-10(17-8)6-14-11(15)4-9-7-16-3-2-12-9/h5,9,12H,2-4,6-7H2,1H3,(H,14,15).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 271.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).