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

C10H16N2OS — CID 164764062

IUPAC1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol
SMILESCC(C)(C)N1CC(O)(c2ccns2)C1
InChIInChI=1S/C10H16N2OS/c1-9(2,3)12-6-10(13,7-12)8-4-5-11-14-8/h4-5,13H,6-7H2,1-3H3
InChIKeyZIQJREHPPMPOMZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.44
Rot. Bonds1

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

1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol (PubChem CID 164764062) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol
PubChem CID164764062
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol
SMILESCC(C)(C)N1CC(O)(c2ccns2)C1
InChIInChI=1S/C10H16N2OS/c1-9(2,3)12-6-10(13,7-12)8-4-5-11-14-8/h4-5,13H,6-7H2,1-3H3
InChIKeyZIQJREHPPMPOMZ-UHFFFAOYSA-N
XLogP1.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Isothiazol-5-YL)propan-2-OL
CID 45158877
1,1-Dimethylethyl 3-hydroxy-3-(5-isothiazolyl)-1-azetidinecarboxylate
CID 70166226
3-(1,2-Thiazol-5-yl)azetidin-3-ol
CID 131220900
3-Hydroxy-3-(1,2-thiazol-5-yl)azetidine-1-carboxylic acid
CID 154081908
2-(Dimethylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 130917847
1-Methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130952205
3-(1,2-Thiazol-5-yl)pentan-3-ol
CID 131059314
1,2-Dimethyl-4-(1,2-thiazol-5-yl)piperidin-4-ol
CID 131059679
1-Cyclopropyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 131062597
1,5-Dimethyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 131150996

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol?
The IUPAC name of 1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol (CID 164764062) is 1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol.
What is the SMILES notation for 1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol?
The canonical SMILES for 1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol is CC(C)(C)N1CC(O)(c2ccns2)C1.
What is the InChIKey of 1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol?
The InChIKey is ZIQJREHPPMPOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-9(2,3)12-6-10(13,7-12)8-4-5-11-14-8/h4-5,13H,6-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol?
1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol has a molecular weight of 212.32 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol is sourced from PubChem (CID 164764062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).