4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C18H26N2OS — CID 167913902

IUPAC4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(Cc4nc(C5CCCCC5)cs4)C1C3C2
InChIInChI=1S/C18H26N2OS/c21-18-12-6-13-8-20(17(18)14(13)7-12)9-16-19-15(10-22-16)11-4-2-1-3-5-11/h10-14,17-18,21H,1-9H2
InChIKeyRFWSHJWRWBASOF-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.39
Rot. Bonds3

About 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol

4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 167913902) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID167913902
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3CN(Cc4nc(C5CCCCC5)cs4)C1C3C2
InChIInChI=1S/C18H26N2OS/c21-18-12-6-13-8-20(17(18)14(13)7-12)9-16-19-15(10-22-16)11-4-2-1-3-5-11/h10-14,17-18,21H,1-9H2
InChIKeyRFWSHJWRWBASOF-UHFFFAOYSA-N
XLogP3.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 167913902) is 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is OC1C2CC3CN(Cc4nc(C5CCCCC5)cs4)C1C3C2.
What is the InChIKey of 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is RFWSHJWRWBASOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c21-18-12-6-13-8-20(17(18)14(13)7-12)9-16-19-15(10-22-16)11-4-2-1-3-5-11/h10-14,17-18,21H,1-9H2.
What are the key properties of 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 318.49 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexyl-1,3-thiazol-2-yl)methyl]-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 167913902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).