3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one

C8H14N2O2S — CID 63312952

IUPAC3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)CN)c1C
InChIInChI=1S/C8H14N2O2S/c1-5-6(2)13-8(12)10(5)4-7(11)3-9/h7,11H,3-4,9H2,1-2H3
InChIKeyMCGIMGYFTPESGB-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.15
Rot. Bonds3

About 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one

3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312952) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312952
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)CN)c1C
InChIInChI=1S/C8H14N2O2S/c1-5-6(2)13-8(12)10(5)4-7(11)3-9/h7,11H,3-4,9H2,1-2H3
InChIKeyMCGIMGYFTPESGB-UHFFFAOYSA-N
XLogP-0.15
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one (CID 63312952) is 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(O)CN)c1C.
What is the InChIKey of 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is MCGIMGYFTPESGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-5-6(2)13-8(12)10(5)4-7(11)3-9/h7,11H,3-4,9H2,1-2H3.
What are the key properties of 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one?
3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxypropyl)-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).