N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide

C10H11F3N2O2S — CID 126820300

IUPACN-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(O)(C(F)(F)F)C2)ns1
InChIInChI=1S/C10H11F3N2O2S/c1-5-2-7(15-18-5)8(16)14-6-3-9(17,4-6)10(11,12)13/h2,6,17H,3-4H2,1H3,(H,14,16)
InChIKeyQHUFZHBGEMMYFT-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.64
Rot. Bonds2

About N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide

N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 126820300) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID126820300
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC NameN-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(O)(C(F)(F)F)C2)ns1
InChIInChI=1S/C10H11F3N2O2S/c1-5-2-7(15-18-5)8(16)14-6-3-9(17,4-6)10(11,12)13/h2,6,17H,3-4H2,1H3,(H,14,16)
InChIKeyQHUFZHBGEMMYFT-UHFFFAOYSA-N
XLogP1.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide (CID 126820300) is N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC2CC(O)(C(F)(F)F)C2)ns1.
What is the InChIKey of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is QHUFZHBGEMMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2S/c1-5-2-7(15-18-5)8(16)14-6-3-9(17,4-6)10(11,12)13/h2,6,17H,3-4H2,1H3,(H,14,16).
What are the key properties of N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide?
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 280.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 126820300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).