2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol

C10H14F3NOS — CID 106782060

IUPAC2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCCC(CC)C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-3-6(4-2)8(15)7-5-14-9(16-7)10(11,12)13/h5-6,8,15H,3-4H2,1-2H3
InChIKeyQNVNIPKHQQSWCC-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.63
Rot. Bonds4

About 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol

2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol (PubChem CID 106782060) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
PubChem CID106782060
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol
SMILESCCC(CC)C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H14F3NOS/c1-3-6(4-2)8(15)7-5-14-9(16-7)10(11,12)13/h5-6,8,15H,3-4H2,1-2H3
InChIKeyQNVNIPKHQQSWCC-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The IUPAC name of 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol (CID 106782060) is 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol.
What is the SMILES notation for 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The canonical SMILES for 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol is CCC(CC)C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
The InChIKey is QNVNIPKHQQSWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-3-6(4-2)8(15)7-5-14-9(16-7)10(11,12)13/h5-6,8,15H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol?
2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol has a molecular weight of 253.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-ol is sourced from PubChem (CID 106782060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).