3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one

C11H18N2O2S — CID 63312954

IUPAC3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)CNC2CC2)c1C
InChIInChI=1S/C11H18N2O2S/c1-7-8(2)16-11(15)13(7)6-10(14)5-12-9-3-4-9/h9-10,12,14H,3-6H2,1-2H3
InChIKeyQZPTUVMKEWCZPB-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.64
Rot. Bonds5

About 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63312954) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63312954
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CC(O)CNC2CC2)c1C
InChIInChI=1S/C11H18N2O2S/c1-7-8(2)16-11(15)13(7)6-10(14)5-12-9-3-4-9/h9-10,12,14H,3-6H2,1-2H3
InChIKeyQZPTUVMKEWCZPB-UHFFFAOYSA-N
XLogP0.64
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.64
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]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63312954) is 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CC(O)CNC2CC2)c1C.
What is the InChIKey of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is QZPTUVMKEWCZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7-8(2)16-11(15)13(7)6-10(14)5-12-9-3-4-9/h9-10,12,14H,3-6H2,1-2H3.
What are the key properties of 3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-(cyclopropylamino)-2-hydroxypropyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 242.34 g/mol, XLogP of 0.64, 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]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63312954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).