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

C7H12N2O2S — CID 43286828

IUPAC3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)CN
InChIInChI=1S/C7H12N2O2S/c1-5-4-12-7(11)9(5)3-6(10)2-8/h4,6,10H,2-3,8H2,1H3
InChIKeyFGOZKKOJEQBYEJ-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.46
Rot. Bonds3

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

3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one (PubChem CID 43286828) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
PubChem CID43286828
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)CN
InChIInChI=1S/C7H12N2O2S/c1-5-4-12-7(11)9(5)3-6(10)2-8/h4,6,10H,2-3,8H2,1H3
InChIKeyFGOZKKOJEQBYEJ-UHFFFAOYSA-N
XLogP-0.46
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Fluoro-2-hydroxypropyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one
CID 165595264
3-[3-(Cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286823
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286824
3-[2-Hydroxy-3-(propylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286825
3-[3-(Ethylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
CID 43286826
3-[2-Hydroxy-3-(methylamino)propyl]-4-methyl-1,3-thiazol-2-one
CID 43286827
N-(2-hydroxypropyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43418351
n-(2-Hydroxypropyl)-4-(4-methyl-2-oxothiazol-3(2h)-yl)butanamide
CID 43418392
3-(2-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 60884269
3-(3-Amino-2-hydroxypropyl)-1,3-thiazol-2-one
CID 63312881
3-[2-Hydroxy-3-(methylamino)propyl]-1,3-thiazol-2-one
CID 63312882
3-[3-(Ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one
CID 63312884

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one (CID 43286828) is 3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(O)CN.
What is the InChIKey of 3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
The InChIKey is FGOZKKOJEQBYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-5-4-12-7(11)9(5)3-6(10)2-8/h4,6,10H,2-3,8H2,1H3.
What are the key properties of 3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one?
3-(3-amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one has a molecular weight of 188.25 g/mol, XLogP of -0.46, 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-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43286828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).