4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine

C9H15N3OS2 — CID 103384673

IUPAC4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
SMILESCOc1c(N)nsc1N1CCSC(C)C1
InChIInChI=1S/C9H15N3OS2/c1-6-5-12(3-4-14-6)9-7(13-2)8(10)11-15-9/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyOYTBPVQEAFXWLI-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.68
Rot. Bonds2

About 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine

4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine (PubChem CID 103384673) has the molecular formula C9H15N3OS2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
PubChem CID103384673
Molecular FormulaC9H15N3OS2
Molecular Weight245.37 g/mol
Exact Mass245.07
IUPAC Name4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine
SMILESCOc1c(N)nsc1N1CCSC(C)C1
InChIInChI=1S/C9H15N3OS2/c1-6-5-12(3-4-14-6)9-7(13-2)8(10)11-15-9/h6H,3-5H2,1-2H3,(H2,10,11)
InChIKeyOYTBPVQEAFXWLI-UHFFFAOYSA-N
XLogP1.68
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine (CID 103384673) is 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine is COc1c(N)nsc1N1CCSC(C)C1.
What is the InChIKey of 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
The InChIKey is OYTBPVQEAFXWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS2/c1-6-5-12(3-4-14-6)9-7(13-2)8(10)11-15-9/h6H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine?
4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine has a molecular weight of 245.37 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(2-methylthiomorpholin-4-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103384673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).