1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol

C17H27NOS — CID 115822961

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(C)c1csc(CC(O)CC2CC3CCC2C3)n1
InChIInChI=1S/C17H27NOS/c1-17(2,3)15-10-20-16(18-15)9-14(19)8-13-7-11-4-5-12(13)6-11/h10-14,19H,4-9H2,1-3H3
InChIKeyRPIJUDRHFRASEE-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.17
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol

1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 115822961) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID115822961
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)(C)c1csc(CC(O)CC2CC3CCC2C3)n1
InChIInChI=1S/C17H27NOS/c1-17(2,3)15-10-20-16(18-15)9-14(19)8-13-7-11-4-5-12(13)6-11/h10-14,19H,4-9H2,1-3H3
InChIKeyRPIJUDRHFRASEE-UHFFFAOYSA-N
XLogP4.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol (CID 115822961) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol is CC(C)(C)c1csc(CC(O)CC2CC3CCC2C3)n1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is RPIJUDRHFRASEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-17(2,3)15-10-20-16(18-15)9-14(19)8-13-7-11-4-5-12(13)6-11/h10-14,19H,4-9H2,1-3H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol?
1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 293.48 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(4-tert-butyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 115822961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).