N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

C9H14N2O2S2 — CID 60678373

IUPACN-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCON(C)C(=O)CSCc1csc(C)n1
InChIInChI=1S/C9H14N2O2S2/c1-7-10-8(5-15-7)4-14-6-9(12)11(2)13-3/h5H,4,6H2,1-3H3
InChIKeyPPBXGAJABZEHJU-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.70
Rot. Bonds5

About N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 60678373) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID60678373
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC NameN-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCON(C)C(=O)CSCc1csc(C)n1
InChIInChI=1S/C9H14N2O2S2/c1-7-10-8(5-15-7)4-14-6-9(12)11(2)13-3/h5H,4,6H2,1-3H3
InChIKeyPPBXGAJABZEHJU-UHFFFAOYSA-N
XLogP1.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate
CID 7131479
ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]-propan-2-ylamino]acetate
CID 61022067
ethyl 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 112725057
ethyl 2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]acetate
CID 47257401
dimethyl 5-[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]oxybenzene-1,3-dicarboxylate
CID 9456487
N-(2-hydroxy-2-methylpropyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 65110108
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 103839734
ethyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]acetate
CID 60811261
N-(1-hydroxy-3-methylpentan-3-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 103946296
N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 83206503
3-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43360903
2-[(4-cyanophenyl)methylsulfanyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 86852414

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 60678373) is N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is CON(C)C(=O)CSCc1csc(C)n1.
What is the InChIKey of N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is PPBXGAJABZEHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-7-10-8(5-15-7)4-14-6-9(12)11(2)13-3/h5H,4,6H2,1-3H3.
What are the key properties of N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 246.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 60678373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).