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

C11H18N2OS — CID 63310525

IUPAC3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCCNC2CC2)c1C
InChIInChI=1S/C11H18N2OS/c1-8-9(2)15-11(14)13(8)7-3-6-12-10-4-5-10/h10,12H,3-7H2,1-2H3
InChIKeyIEBIHWPBCUFDIO-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.67
Rot. Bonds5

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

3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 63310525) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID63310525
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESCc1sc(=O)n(CCCNC2CC2)c1C
InChIInChI=1S/C11H18N2OS/c1-8-9(2)15-11(14)13(8)7-3-6-12-10-4-5-10/h10,12H,3-7H2,1-2H3
InChIKeyIEBIHWPBCUFDIO-UHFFFAOYSA-N
XLogP1.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 63310525) is 3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one is Cc1sc(=O)n(CCCNC2CC2)c1C.
What is the InChIKey of 3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is IEBIHWPBCUFDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-9(2)15-11(14)13(8)7-3-6-12-10-4-5-10/h10,12H,3-7H2,1-2H3.
What are the key properties of 3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 226.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 63310525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).