3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol

C10H14F3NOS — CID 106781988

IUPAC3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol
SMILESCCC(C)C(C)(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-4-6(2)9(3,15)7-5-14-8(16-7)10(11,12)13/h5-6,15H,4H2,1-3H3
InChIKeyMDCAJDXQDLCPBK-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.42
Rot. Bonds3

About 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol

3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol (PubChem CID 106781988) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol
PubChem CID106781988
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol
SMILESCCC(C)C(C)(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-4-6(2)9(3,15)7-5-14-8(16-7)10(11,12)13/h5-6,15H,4H2,1-3H3
InChIKeyMDCAJDXQDLCPBK-UHFFFAOYSA-N
XLogP3.42
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol?
The IUPAC name of 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol (CID 106781988) is 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol?
The canonical SMILES for 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol is CCC(C)C(C)(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol?
The InChIKey is MDCAJDXQDLCPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-4-6(2)9(3,15)7-5-14-8(16-7)10(11,12)13/h5-6,15H,4H2,1-3H3.
What are the key properties of 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol?
3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol has a molecular weight of 253.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 106781988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).