1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol

C9H12FNOS — CID 84776281

IUPAC1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol
SMILESCC(C)(F)c1nc(C2(O)CC2)cs1
InChIInChI=1S/C9H12FNOS/c1-8(2,10)7-11-6(5-13-7)9(12)3-4-9/h5,12H,3-4H2,1-2H3
InChIKeyBWKZIQMZSUDVER-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.33
Rot. Bonds2

About 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol

1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol (PubChem CID 84776281) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol
PubChem CID84776281
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol
SMILESCC(C)(F)c1nc(C2(O)CC2)cs1
InChIInChI=1S/C9H12FNOS/c1-8(2,10)7-11-6(5-13-7)9(12)3-4-9/h5,12H,3-4H2,1-2H3
InChIKeyBWKZIQMZSUDVER-UHFFFAOYSA-N
XLogP2.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol (CID 84776281) is 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol is CC(C)(F)c1nc(C2(O)CC2)cs1.
What is the InChIKey of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol?
The InChIKey is BWKZIQMZSUDVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-8(2,10)7-11-6(5-13-7)9(12)3-4-9/h5,12H,3-4H2,1-2H3.
What are the key properties of 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol?
1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol has a molecular weight of 201.27 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoropropan-2-yl)-1,3-thiazol-4-yl]cyclopropan-1-ol is sourced from PubChem (CID 84776281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).