[2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone

C10H11F3N2O3S — CID 166280124

IUPAC[2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESCC(O)c1ncc(C(=O)N2CC(O)(C(F)(F)F)C2)s1
InChIInChI=1S/C10H11F3N2O3S/c1-5(16)7-14-2-6(19-7)8(17)15-3-9(18,4-15)10(11,12)13/h2,5,16,18H,3-4H2,1H3
InChIKeyKHBHIANDFQLWKC-UHFFFAOYSA-N
MW296.27 g/mol
LogP0.95
Rot. Bonds2

About [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone

[2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone (PubChem CID 166280124) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone
PubChem CID166280124
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name[2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone
SMILESCC(O)c1ncc(C(=O)N2CC(O)(C(F)(F)F)C2)s1
InChIInChI=1S/C10H11F3N2O3S/c1-5(16)7-14-2-6(19-7)8(17)15-3-9(18,4-15)10(11,12)13/h2,5,16,18H,3-4H2,1H3
InChIKeyKHBHIANDFQLWKC-UHFFFAOYSA-N
XLogP0.95
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone with MolForge

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Related Compounds

N,N-dimethyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 146566058
2-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 86847597
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 103723155
N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 103769815
N-(3,3-difluoro-2-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103770274
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 103915379
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 103915432
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 104858223
2-[(2-Methyl-1,3-thiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 108041042
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 108042934
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 108042935
5-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267509

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone?
The IUPAC name of [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone (CID 166280124) is [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone.
What is the SMILES notation for [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone?
The canonical SMILES for [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone is CC(O)c1ncc(C(=O)N2CC(O)(C(F)(F)F)C2)s1.
What is the InChIKey of [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone?
The InChIKey is KHBHIANDFQLWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-5(16)7-14-2-6(19-7)8(17)15-3-9(18,4-15)10(11,12)13/h2,5,16,18H,3-4H2,1H3.
What are the key properties of [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone?
[2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone has a molecular weight of 296.27 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxyethyl)-1,3-thiazol-5-yl]-[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 166280124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).