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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Related Compounds

5-[3-(cyclohexylamino)propyl]thieno[3,2-c]pyridin-4-one
CID 115912118
1-[3-(cyclohexylamino)propyl]-3-ethylimidazol-2-one
CID 80582495
1-[3-(cyclohexylamino)propyl]-4-methylpyrimidin-2-one
CID 114217449
1-[4-(cyclopropylamino)butyl]-4-methylpyridin-2-one
CID 62988187
1-[3-(cyclopropylamino)propyl]-5-ethylpyrimidine-2,4-dione
CID 66330717
3-[2-(1,3-dioxan-2-yl)ethyl]-1,3-thiazol-2-one
CID 66472134
N-[3-(2-thiophen-2-ylimidazol-1-yl)propyl]cyclohexanamine
CID 62565929
N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
N-[3-(4,5-dimethylimidazol-1-yl)propyl]cyclopentanamine
CID 62564881
1-[3-(cyclopropylamino)propyl]-5-nitropyrimidin-2-one
CID 104697257
3-[2-(cyclopropylamino)ethyl]-1H-imidazol-2-one
CID 103124813
1-[3-(cyclopropylamino)propyl]pyrrolidin-2-one
CID 61387245

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).