5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine

C9H15N3S2 — CID 115882742

IUPAC5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CN(Cc2cnc(N)s2)CCS1
InChIInChI=1S/C9H15N3S2/c1-7-5-12(2-3-13-7)6-8-4-11-9(10)14-8/h4,7H,2-3,5-6H2,1H3,(H2,10,11)
InChIKeyRLYJTKHAXLUECW-UHFFFAOYSA-N
MW229.37 g/mol
LogP1.66
Rot. Bonds2

About 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine

5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 115882742) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
PubChem CID115882742
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
SMILESCC1CN(Cc2cnc(N)s2)CCS1
InChIInChI=1S/C9H15N3S2/c1-7-5-12(2-3-13-7)6-8-4-11-9(10)14-8/h4,7H,2-3,5-6H2,1H3,(H2,10,11)
InChIKeyRLYJTKHAXLUECW-UHFFFAOYSA-N
XLogP1.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine (CID 115882742) is 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine is CC1CN(Cc2cnc(N)s2)CCS1.
What is the InChIKey of 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is RLYJTKHAXLUECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-7-5-12(2-3-13-7)6-8-4-11-9(10)14-8/h4,7H,2-3,5-6H2,1H3,(H2,10,11).
What are the key properties of 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine?
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 229.37 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115882742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).