5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole

C9H14N2OS — CID 130590598

IUPAC5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(C2NCC2(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-9(2)5-11-7(9)6-4-10-8(12-3)13-6/h4,7,11H,5H2,1-3H3
InChIKeyDMSOAZSYDQUGQB-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.82
Rot. Bonds2

About 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole

5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole (PubChem CID 130590598) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole
PubChem CID130590598
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole
SMILESCOc1ncc(C2NCC2(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-9(2)5-11-7(9)6-4-10-8(12-3)13-6/h4,7,11H,5H2,1-3H3
InChIKeyDMSOAZSYDQUGQB-UHFFFAOYSA-N
XLogP1.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole?
The IUPAC name of 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole (CID 130590598) is 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole.
What is the SMILES notation for 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole?
The canonical SMILES for 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole is COc1ncc(C2NCC2(C)C)s1.
What is the InChIKey of 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole?
The InChIKey is DMSOAZSYDQUGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-9(2)5-11-7(9)6-4-10-8(12-3)13-6/h4,7,11H,5H2,1-3H3.
What are the key properties of 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole?
5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole has a molecular weight of 198.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylazetidin-2-yl)-2-methoxy-1,3-thiazole is sourced from PubChem (CID 130590598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).