1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol

C17H19NOS — CID 115817879

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nc(-c2ccccc2)cs1)C1C2CCCC21
InChIInChI=1S/C17H19NOS/c19-15(17-12-7-4-8-13(12)17)9-16-18-14(10-20-16)11-5-2-1-3-6-11/h1-3,5-6,10,12-13,15,17,19H,4,7-9H2
InChIKeyVSBYFEJCYZEHTF-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.76
Rot. Bonds4

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol

1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol (PubChem CID 115817879) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
PubChem CID115817879
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
SMILESOC(Cc1nc(-c2ccccc2)cs1)C1C2CCCC21
InChIInChI=1S/C17H19NOS/c19-15(17-12-7-4-8-13(12)17)9-16-18-14(10-20-16)11-5-2-1-3-6-11/h1-3,5-6,10,12-13,15,17,19H,4,7-9H2
InChIKeyVSBYFEJCYZEHTF-UHFFFAOYSA-N
XLogP3.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol with MolForge

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Related Compounds

1-cyclopropyl-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79819550
1-(2-methylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 107192609
2-(4-phenyl-1,3-thiazol-2-yl)-1-piperidin-3-ylethanol
CID 80559303
1-cyclopentyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 115817937
1-(3-methyl-1,4-dithian-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 115386153
4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103456577
1-cyclopentylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79825749
1-(oxolan-3-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 103986612
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
2-fluoro-3-(4-phenyl-1,3-thiazol-2-yl)propanoic acid
CID 79817950
1-(furan-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol
CID 79820082
3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 79820192

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol (CID 115817879) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol is OC(Cc1nc(-c2ccccc2)cs1)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol?
The InChIKey is VSBYFEJCYZEHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-15(17-12-7-4-8-13(12)17)9-16-18-14(10-20-16)11-5-2-1-3-6-11/h1-3,5-6,10,12-13,15,17,19H,4,7-9H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol?
1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol has a molecular weight of 285.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 115817879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).