5-(methylaminomethyl)-1,2-thiazol-3-one

C5H8N2OS — CID 55301554

IUPAC5-(methylaminomethyl)-1,2-thiazol-3-one
SMILESCNCc1cc(=O)[nH]s1
InChIInChI=1S/C5H8N2OS/c1-6-3-4-2-5(8)7-9-4/h2,6H,3H2,1H3,(H,7,8)
InChIKeySQFSTAVDHYIMNF-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.16
Rot. Bonds2

About 5-(methylaminomethyl)-1,2-thiazol-3-one

5-(methylaminomethyl)-1,2-thiazol-3-one (PubChem CID 55301554) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 5-(methylaminomethyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-1,2-thiazol-3-one
PubChem CID55301554
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name5-(methylaminomethyl)-1,2-thiazol-3-one
SMILESCNCc1cc(=O)[nH]s1
InChIInChI=1S/C5H8N2OS/c1-6-3-4-2-5(8)7-9-4/h2,6H,3H2,1H3,(H,7,8)
InChIKeySQFSTAVDHYIMNF-UHFFFAOYSA-N
XLogP0.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-1,2-thiazol-3-one?
The IUPAC name of 5-(methylaminomethyl)-1,2-thiazol-3-one (CID 55301554) is 5-(methylaminomethyl)-1,2-thiazol-3-one.
What is the SMILES notation for 5-(methylaminomethyl)-1,2-thiazol-3-one?
The canonical SMILES for 5-(methylaminomethyl)-1,2-thiazol-3-one is CNCc1cc(=O)[nH]s1.
What is the InChIKey of 5-(methylaminomethyl)-1,2-thiazol-3-one?
The InChIKey is SQFSTAVDHYIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-6-3-4-2-5(8)7-9-4/h2,6H,3H2,1H3,(H,7,8).
What are the key properties of 5-(methylaminomethyl)-1,2-thiazol-3-one?
5-(methylaminomethyl)-1,2-thiazol-3-one has a molecular weight of 144.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-1,2-thiazol-3-one is sourced from PubChem (CID 55301554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).