2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C15H18F3NOS — CID 106786521

IUPAC2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H18F3NOS/c16-15(17,18)14-19-6-11(21-14)13(20)12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12-13,20H,1-5H2
InChIKeyJCAPPWMOWWUAJX-UHFFFAOYSA-N
MW317.38 g/mol
LogP4.27
Rot. Bonds2

About 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106786521) has the molecular formula C15H18F3NOS and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106786521
Molecular FormulaC15H18F3NOS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESOC(c1cnc(C(F)(F)F)s1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H18F3NOS/c16-15(17,18)14-19-6-11(21-14)13(20)12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12-13,20H,1-5H2
InChIKeyJCAPPWMOWWUAJX-UHFFFAOYSA-N
XLogP4.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106786521) is 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is OC(c1cnc(C(F)(F)F)s1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is JCAPPWMOWWUAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NOS/c16-15(17,18)14-19-6-11(21-14)13(20)12-9-2-7-1-8(4-9)5-10(12)3-7/h6-10,12-13,20H,1-5H2.
What are the key properties of 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 317.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106786521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).