4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one

C6H10N2OS — CID 81463090

IUPAC4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one
SMILESCNC(C)c1csc(=O)[nH]1
InChIInChI=1S/C6H10N2OS/c1-4(7-2)5-3-10-6(9)8-5/h3-4,7H,1-2H3,(H,8,9)
InChIKeyDTEGBHFHTCXRKC-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.72
Rot. Bonds2

About 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one

4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one (PubChem CID 81463090) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one
PubChem CID81463090
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one
SMILESCNC(C)c1csc(=O)[nH]1
InChIInChI=1S/C6H10N2OS/c1-4(7-2)5-3-10-6(9)8-5/h3-4,7H,1-2H3,(H,8,9)
InChIKeyDTEGBHFHTCXRKC-UHFFFAOYSA-N
XLogP0.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one (CID 81463090) is 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one is CNC(C)c1csc(=O)[nH]1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one?
The InChIKey is DTEGBHFHTCXRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-4(7-2)5-3-10-6(9)8-5/h3-4,7H,1-2H3,(H,8,9).
What are the key properties of 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one?
4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one has a molecular weight of 158.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(methylamino)ethyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 81463090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).