3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one

C10H16N2O2S — CID 43286823

IUPAC3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)CNC1CC1
InChIInChI=1S/C10H16N2O2S/c1-7-6-15-10(14)12(7)5-9(13)4-11-8-2-3-8/h6,8-9,11,13H,2-5H2,1H3
InChIKeyOIQNDJGZRIXOHB-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.33
Rot. Bonds5

About 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one

3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43286823) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43286823
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(O)CNC1CC1
InChIInChI=1S/C10H16N2O2S/c1-7-6-15-10(14)12(7)5-9(13)4-11-8-2-3-8/h6,8-9,11,13H,2-5H2,1H3
InChIKeyOIQNDJGZRIXOHB-UHFFFAOYSA-N
XLogP0.33
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-(3-Amino-2-hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43286828
n-(2-Hydroxypropyl)-4-(4-methyl-2-oxothiazol-3(2h)-yl)butanamide
CID 43418392
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312240
3-[3-(Cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one
CID 63312883
3-[2-Hydroxy-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
CID 63312925
3-[2-Hydroxy-3-(propylamino)propyl]-1,3-thiazol-2-one
CID 63312926
3-[3-(Cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312954
N-[(2S)-2-hydroxypropyl]-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 83030136

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one (CID 43286823) is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(O)CNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is OIQNDJGZRIXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-7-6-15-10(14)12(7)5-9(13)4-11-8-2-3-8/h6,8-9,11,13H,2-5H2,1H3.
What are the key properties of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one?
3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 228.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43286823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).