5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole

C11H18N2S — CID 71857547

IUPAC5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCC2(C)C)s1
InChIInChI=1S/C11H18N2S/c1-8-10(14-9(2)12-8)7-13-6-5-11(13,3)4/h5-7H2,1-4H3
InChIKeyBYGRFRTXANJXED-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.74
Rot. Bonds2

About 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole

5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole (PubChem CID 71857547) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
PubChem CID71857547
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(CN2CCC2(C)C)s1
InChIInChI=1S/C11H18N2S/c1-8-10(14-9(2)12-8)7-13-6-5-11(13,3)4/h5-7H2,1-4H3
InChIKeyBYGRFRTXANJXED-UHFFFAOYSA-N
XLogP2.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole (CID 71857547) is 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(CN2CCC2(C)C)s1.
What is the InChIKey of 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is BYGRFRTXANJXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-10(14-9(2)12-8)7-13-6-5-11(13,3)4/h5-7H2,1-4H3.
What are the key properties of 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole?
5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 210.35 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylazetidin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 71857547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).