(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol

C7H4F3NOS — CID 155363994

IUPAC(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol
SMILESC#C[C@H](O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H4F3NOS/c1-2-4(12)6-11-5(3-13-6)7(8,9)10/h1,3-4,12H/t4-/m0/s1
InChIKeyKYMAWJZVEAQCJX-BYPYZUCNSA-N
MW207.18 g/mol
LogP1.83
Rot. Bonds1

About (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol

(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol (PubChem CID 155363994) has the molecular formula C7H4F3NOS and a molecular weight of 207.18 g/mol. Its IUPAC name is (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol
PubChem CID155363994
Molecular FormulaC7H4F3NOS
Molecular Weight207.18 g/mol
Exact Mass207.00
IUPAC Name(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol
SMILESC#C[C@H](O)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H4F3NOS/c1-2-4(12)6-11-5(3-13-6)7(8,9)10/h1,3-4,12H/t4-/m0/s1
InChIKeyKYMAWJZVEAQCJX-BYPYZUCNSA-N
XLogP1.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol?
The IUPAC name of (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol (CID 155363994) is (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol?
The canonical SMILES for (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol is C#C[C@H](O)c1nc(C(F)(F)F)cs1.
What is the InChIKey of (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol?
The InChIKey is KYMAWJZVEAQCJX-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H4F3NOS/c1-2-4(12)6-11-5(3-13-6)7(8,9)10/h1,3-4,12H/t4-/m0/s1.
What are the key properties of (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol?
(1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol has a molecular weight of 207.18 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 155363994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).