1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol

C9H12F3NO3S — CID 106782166

IUPAC1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCOC(OC)C(C)(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NO3S/c1-8(14,7(15-2)16-3)5-4-13-6(17-5)9(10,11)12/h4,7,14H,1-3H3
InChIKeyVHYQMZBEPQOPNQ-UHFFFAOYSA-N
MW271.26 g/mol
LogP1.99
Rot. Bonds4

About 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol

1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 106782166) has the molecular formula C9H12F3NO3S and a molecular weight of 271.26 g/mol. Its IUPAC name is 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID106782166
Molecular FormulaC9H12F3NO3S
Molecular Weight271.26 g/mol
Exact Mass271.05
IUPAC Name1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCOC(OC)C(C)(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C9H12F3NO3S/c1-8(14,7(15-2)16-3)5-4-13-6(17-5)9(10,11)12/h4,7,14H,1-3H3
InChIKeyVHYQMZBEPQOPNQ-UHFFFAOYSA-N
XLogP1.99
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106782217
1-amino-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 106782230
4-(tert-butylamino)-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-2-ol
CID 106784457
N,4-dimethyl-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-amine
CID 106784185
1-(2,4-dichloro-5-fluorophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanol
CID 106781987
1-(4-bromophenyl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106782345
2,2-dimethyl-3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]propan-1-ol
CID 106782206
4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pentan-2-one
CID 106784127
2-methoxy-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenol
CID 106784585
5-methyl-2-[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-yl]cyclohexan-1-amine
CID 106784187
N-[2,2-dimethoxy-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783469
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol (CID 106782166) is 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol is COC(OC)C(C)(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is VHYQMZBEPQOPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3S/c1-8(14,7(15-2)16-3)5-4-13-6(17-5)9(10,11)12/h4,7,14H,1-3H3.
What are the key properties of 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol?
1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 271.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 106782166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).