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

C9H14N2OS — CID 63312459

IUPAC3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCCNC1CC1
InChIInChI=1S/C9H14N2OS/c12-9-11(6-7-13-9)5-1-4-10-8-2-3-8/h6-8,10H,1-5H2
InChIKeyHSXJHDDPAUAMJR-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.05
Rot. Bonds5

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

3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one (PubChem CID 63312459) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one
PubChem CID63312459
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one
SMILESO=c1sccn1CCCNC1CC1
InChIInChI=1S/C9H14N2OS/c12-9-11(6-7-13-9)5-1-4-10-8-2-3-8/h6-8,10H,1-5H2
InChIKeyHSXJHDDPAUAMJR-UHFFFAOYSA-N
XLogP1.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.05
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]-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one (CID 63312459) is 3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one is O=c1sccn1CCCNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one?
The InChIKey is HSXJHDDPAUAMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-9-11(6-7-13-9)5-1-4-10-8-2-3-8/h6-8,10H,1-5H2.
What are the key properties of 3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one?
3-[3-(cyclopropylamino)propyl]-1,3-thiazol-2-one has a molecular weight of 198.29 g/mol, XLogP of 1.05, 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]-1,3-thiazol-2-one is sourced from PubChem (CID 63312459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).