3-(3-methoxypropyl)-1,3-thiazol-2-one

C7H11NO2S — CID 115736833

IUPAC3-(3-methoxypropyl)-1,3-thiazol-2-one
SMILESCOCCCn1ccsc1=O
InChIInChI=1S/C7H11NO2S/c1-10-5-2-3-8-4-6-11-7(8)9/h4,6H,2-3,5H2,1H3
InChIKeyXXQZAFWKWXPDFP-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.95
Rot. Bonds4

About 3-(3-methoxypropyl)-1,3-thiazol-2-one

3-(3-methoxypropyl)-1,3-thiazol-2-one (PubChem CID 115736833) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1,3-thiazol-2-one
PubChem CID115736833
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name3-(3-methoxypropyl)-1,3-thiazol-2-one
SMILESCOCCCn1ccsc1=O
InChIInChI=1S/C7H11NO2S/c1-10-5-2-3-8-4-6-11-7(8)9/h4,6H,2-3,5H2,1H3
InChIKeyXXQZAFWKWXPDFP-UHFFFAOYSA-N
XLogP0.95
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,2,2-Trifluoroethoxy)propyl]-1,3-thiazol-2-one
CID 115659265
4-Hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one
CID 54426525
ethyl 2-methyl-2H-1,3-thiazole-3-carboxylate
CID 69174231
ethyl 2H-1,3-thiazole-3-carboxylate
CID 70119022
3-Propyl-1,3-thiazol-2-one
CID 13828888
3-(3-Hydroxypropyl)-1,3-thiazol-2-one
CID 63312364
Methyl 3-(2-oxo-1,3-thiazol-3-yl)propanoate
CID 63312395
3-(3-Methoxy-3-methylbutyl)-1,3-thiazol-2-one
CID 102975119
3-[3-(2-Methoxyethoxy)propyl]-1,3-thiazol-2-one
CID 103413341
3-(2-Methoxypropyl)-1,3-thiazol-2-one
CID 104096624
3-(Ethoxymethyl)-1,3-thiazol-2-one
CID 104599328
3-(2-Propoxyethyl)-1,3-thiazol-2-one
CID 106458071

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-methoxypropyl)-1,3-thiazol-2-one (CID 115736833) is 3-(3-methoxypropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-methoxypropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-methoxypropyl)-1,3-thiazol-2-one is COCCCn1ccsc1=O.
What is the InChIKey of 3-(3-methoxypropyl)-1,3-thiazol-2-one?
The InChIKey is XXQZAFWKWXPDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-10-5-2-3-8-4-6-11-7(8)9/h4,6H,2-3,5H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-1,3-thiazol-2-one?
3-(3-methoxypropyl)-1,3-thiazol-2-one has a molecular weight of 173.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 115736833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).