4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol

C12H19N3OS — CID 141271969

IUPAC4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
SMILESNC1CN(C2CCC(O)(c3ccns3)CC2)C1
InChIInChI=1S/C12H19N3OS/c13-9-7-15(8-9)10-1-4-12(16,5-2-10)11-3-6-14-17-11/h3,6,9-10,16H,1-2,4-5,7-8,13H2
InChIKeyMKTGWIBOPNBLIO-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.92
Rot. Bonds2

About 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol

4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol (PubChem CID 141271969) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
PubChem CID141271969
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
SMILESNC1CN(C2CCC(O)(c3ccns3)CC2)C1
InChIInChI=1S/C12H19N3OS/c13-9-7-15(8-9)10-1-4-12(16,5-2-10)11-3-6-14-17-11/h3,6,9-10,16H,1-2,4-5,7-8,13H2
InChIKeyMKTGWIBOPNBLIO-UHFFFAOYSA-N
XLogP0.92
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 130952214
5-Isothiazolemethanol, I+/--methyl-I+/--(2-pyrrolidinylmethyl)-
CID 130975146
1,2-Dimethyl-4-(1,2-thiazol-5-yl)piperidin-4-ol
CID 131059679

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol?
The IUPAC name of 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol (CID 141271969) is 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol is NC1CN(C2CCC(O)(c3ccns3)CC2)C1.
What is the InChIKey of 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol?
The InChIKey is MKTGWIBOPNBLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-9-7-15(8-9)10-1-4-12(16,5-2-10)11-3-6-14-17-11/h3,6,9-10,16H,1-2,4-5,7-8,13H2.
What are the key properties of 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol?
4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol has a molecular weight of 253.37 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoazetidin-1-yl)-1-(1,2-thiazol-5-yl)cyclohexan-1-ol is sourced from PubChem (CID 141271969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).