N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C14H13F3N2O2S — CID 78840025

IUPACN-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCO
InChIInChI=1S/C14H13F3N2O2S/c1-8-11(12(21)18-6-7-20)22-13(19-8)9-2-4-10(5-3-9)14(15,16)17/h2-5,20H,6-7H2,1H3,(H,18,21)
InChIKeyCXPYDIRARZOIDE-UHFFFAOYSA-N
MW330.33 g/mol
LogP2.86
Rot. Bonds4

About N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 78840025) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID78840025
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCO
InChIInChI=1S/C14H13F3N2O2S/c1-8-11(12(21)18-6-7-20)22-13(19-8)9-2-4-10(5-3-9)14(15,16)17/h2-5,20H,6-7H2,1H3,(H,18,21)
InChIKeyCXPYDIRARZOIDE-UHFFFAOYSA-N
XLogP2.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbohydrazide
CID 2744514
4-methyl-2-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethylsulfonylamino)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 44446262
N,4-dimethyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 1483672
N-allyl-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 3795905
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 7222728
4-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 44446245
N-[[4-(methanesulfonamido)phenyl]methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 44446255
4-methyl-2-[4-(trifluoromethyl)phenyl]-N-[[4-[(trifluoromethylsulfonylamino)methyl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 44446264
N-[3-(diethylamino)propyl]-2,4-diphenyl-thiazole-5-carboxamide
CID 54586543
N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 5215878
N-benzyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 695120

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 78840025) is N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CXPYDIRARZOIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-8-11(12(21)18-6-7-20)22-13(19-8)9-2-4-10(5-3-9)14(15,16)17/h2-5,20H,6-7H2,1H3,(H,18,21).
What are the key properties of N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78840025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).