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

C9H14N2O2S — CID 63312883

IUPAC3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CC(O)CNC1CC1
InChIInChI=1S/C9H14N2O2S/c12-8(5-10-7-1-2-7)6-11-3-4-14-9(11)13/h3-4,7-8,10,12H,1-2,5-6H2
InChIKeyCLDZXFJHBUTZFR-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.02
Rot. Bonds5

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

3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one (PubChem CID 63312883) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one
PubChem CID63312883
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CC(O)CNC1CC1
InChIInChI=1S/C9H14N2O2S/c12-8(5-10-7-1-2-7)6-11-3-4-14-9(11)13/h3-4,7-8,10,12H,1-2,5-6H2
InChIKeyCLDZXFJHBUTZFR-UHFFFAOYSA-N
XLogP0.02
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one (CID 63312883) is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one is O=c1sccn1CC(O)CNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one?
The InChIKey is CLDZXFJHBUTZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c12-8(5-10-7-1-2-7)6-11-3-4-14-9(11)13/h3-4,7-8,10,12H,1-2,5-6H2.
What are the key properties of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one?
3-[3-(cyclopropylamino)-2-hydroxypropyl]-1,3-thiazol-2-one has a molecular weight of 214.29 g/mol, XLogP of 0.02, 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]-1,3-thiazol-2-one is sourced from PubChem (CID 63312883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).