2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide

C9H14N2O2S2 — CID 21486884

IUPAC2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide
SMILESCOC(C)(Sc1nccs1)C(=O)N(C)C
InChIInChI=1S/C9H14N2O2S2/c1-9(13-4,7(12)11(2)3)15-8-10-5-6-14-8/h5-6H,1-4H3
InChIKeyOOQNQYVQNPFDMW-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.69
Rot. Bonds4

About 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide

2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide (PubChem CID 21486884) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide
PubChem CID21486884
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide
SMILESCOC(C)(Sc1nccs1)C(=O)N(C)C
InChIInChI=1S/C9H14N2O2S2/c1-9(13-4,7(12)11(2)3)15-8-10-5-6-14-8/h5-6H,1-4H3
InChIKeyOOQNQYVQNPFDMW-UHFFFAOYSA-N
XLogP1.69
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide (CID 21486884) is 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide is COC(C)(Sc1nccs1)C(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
The InChIKey is OOQNQYVQNPFDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-9(13-4,7(12)11(2)3)15-8-10-5-6-14-8/h5-6H,1-4H3.
What are the key properties of 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide?
2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide has a molecular weight of 246.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)propanamide is sourced from PubChem (CID 21486884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).