4-(methylaminomethyl)-3H-1,3-thiazol-2-one

C5H8N2OS — CID 81455987

IUPAC4-(methylaminomethyl)-3H-1,3-thiazol-2-one
SMILESCNCc1csc(=O)[nH]1
InChIInChI=1S/C5H8N2OS/c1-6-2-4-3-9-5(8)7-4/h3,6H,2H2,1H3,(H,7,8)
InChIKeyTUTLITXHJIKJTO-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.16
Rot. Bonds2

About 4-(methylaminomethyl)-3H-1,3-thiazol-2-one

4-(methylaminomethyl)-3H-1,3-thiazol-2-one (PubChem CID 81455987) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 4-(methylaminomethyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-3H-1,3-thiazol-2-one
PubChem CID81455987
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name4-(methylaminomethyl)-3H-1,3-thiazol-2-one
SMILESCNCc1csc(=O)[nH]1
InChIInChI=1S/C5H8N2OS/c1-6-2-4-3-9-5(8)7-4/h3,6H,2H2,1H3,(H,7,8)
InChIKeyTUTLITXHJIKJTO-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 4-(methylaminomethyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(methylaminomethyl)-3H-1,3-thiazol-2-one (CID 81455987) is 4-(methylaminomethyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(methylaminomethyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(methylaminomethyl)-3H-1,3-thiazol-2-one is CNCc1csc(=O)[nH]1.
What is the InChIKey of 4-(methylaminomethyl)-3H-1,3-thiazol-2-one?
The InChIKey is TUTLITXHJIKJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-6-2-4-3-9-5(8)7-4/h3,6H,2H2,1H3,(H,7,8).
What are the key properties of 4-(methylaminomethyl)-3H-1,3-thiazol-2-one?
4-(methylaminomethyl)-3H-1,3-thiazol-2-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 4-(methylaminomethyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 81455987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).