N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

C13H11F3N2O2S — CID 111108640

IUPACN-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)c1cccc(C(F)(F)F)c1)c1cscn1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-2-8(4-9)11(19)5-17-12(20)10-6-21-7-18-10/h1-4,6-7,11,19H,5H2,(H,17,20)
InChIKeyZXQQADUKKHWSDH-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.63
Rot. Bonds4

About N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 111108640) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID111108640
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC NameN-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)c1cccc(C(F)(F)F)c1)c1cscn1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-2-8(4-9)11(19)5-17-12(20)10-6-21-7-18-10/h1-4,6-7,11,19H,5H2,(H,17,20)
InChIKeyZXQQADUKKHWSDH-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111434796
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 102602799
5-cyano-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111108710
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111452353
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587
3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide
CID 110014991
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71979033
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693
1-cyclopropyl-3-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 111108599
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 111108640) is N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is O=C(NCC(O)c1cccc(C(F)(F)F)c1)c1cscn1.
What is the InChIKey of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZXQQADUKKHWSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-13(15,16)9-3-1-2-8(4-9)11(19)5-17-12(20)10-6-21-7-18-10/h1-4,6-7,11,19H,5H2,(H,17,20).
What are the key properties of N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 316.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111108640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).