1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol

C9H14N2OS — CID 131042044

IUPAC1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol
SMILESCC(C)c1cnc(N2CC(O)C2)s1
InChIInChI=1S/C9H14N2OS/c1-6(2)8-3-10-9(13-8)11-4-7(12)5-11/h3,6-7,12H,4-5H2,1-2H3
InChIKeyBQHVWKKRCJMEMU-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.45
Rot. Bonds2

About 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol

1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol (PubChem CID 131042044) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol
PubChem CID131042044
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol
SMILESCC(C)c1cnc(N2CC(O)C2)s1
InChIInChI=1S/C9H14N2OS/c1-6(2)8-3-10-9(13-8)11-4-7(12)5-11/h3,6-7,12H,4-5H2,1-2H3
InChIKeyBQHVWKKRCJMEMU-UHFFFAOYSA-N
XLogP1.45
TPSA36.36 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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol?
The IUPAC name of 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol (CID 131042044) is 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol is CC(C)c1cnc(N2CC(O)C2)s1.
What is the InChIKey of 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol?
The InChIKey is BQHVWKKRCJMEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)8-3-10-9(13-8)11-4-7(12)5-11/h3,6-7,12H,4-5H2,1-2H3.
What are the key properties of 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol?
1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol has a molecular weight of 198.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-1,3-thiazol-2-yl)azetidin-3-ol is sourced from PubChem (CID 131042044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).