1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one

C13H19NO2S — CID 103558913

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
SMILESCOC1(CC(=O)Cc2nc(C)c(C)s2)CCC1
InChIInChI=1S/C13H19NO2S/c1-9-10(2)17-12(14-9)7-11(15)8-13(16-3)5-4-6-13/h4-8H2,1-3H3
InChIKeyRIFVUSUBKVCIKI-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.83
Rot. Bonds5

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one (PubChem CID 103558913) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
PubChem CID103558913
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one
SMILESCOC1(CC(=O)Cc2nc(C)c(C)s2)CCC1
InChIInChI=1S/C13H19NO2S/c1-9-10(2)17-12(14-9)7-11(15)8-13(16-3)5-4-6-13/h4-8H2,1-3H3
InChIKeyRIFVUSUBKVCIKI-UHFFFAOYSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one (CID 103558913) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one is COC1(CC(=O)Cc2nc(C)c(C)s2)CCC1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one?
The InChIKey is RIFVUSUBKVCIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-9-10(2)17-12(14-9)7-11(15)8-13(16-3)5-4-6-13/h4-8H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one has a molecular weight of 253.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(1-methoxycyclobutyl)propan-2-one is sourced from PubChem (CID 103558913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).