2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C9H11F3N2O2S — CID 103726115

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCc1nc(CC(=O)NCC(O)C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2O2S/c1-5-14-6(4-17-5)2-8(16)13-3-7(15)9(10,11)12/h4,7,15H,2-3H2,1H3,(H,13,16)
InChIKeySEUBXPXLDXCYIB-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.03
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103726115) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103726115
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESCc1nc(CC(=O)NCC(O)C(F)(F)F)cs1
InChIInChI=1S/C9H11F3N2O2S/c1-5-14-6(4-17-5)2-8(16)13-3-7(15)9(10,11)12/h4,7,15H,2-3H2,1H3,(H,13,16)
InChIKeySEUBXPXLDXCYIB-UHFFFAOYSA-N
XLogP1.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95131671
2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78786025
(1S)-2-(butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
CID 138472956
2-(Butylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
CID 138472958
2-(Propylamino)-1-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanol
CID 153754593
2-(2-amino-1,3-thiazol-4-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 62798927
4-[(2-Methyl-1,3-thiazol-4-yl)acetyl]-2-(trifluoromethyl)morpholine
CID 70735143
N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78864392
2-[[2-(2-Methyl-1,3-thiazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257800
2-(2-ethyl-1,3-thiazol-4-yl)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 86833672
2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
CID 86986102
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95870117

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103726115) is 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is Cc1nc(CC(=O)NCC(O)C(F)(F)F)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is SEUBXPXLDXCYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-5-14-6(4-17-5)2-8(16)13-3-7(15)9(10,11)12/h4,7,15H,2-3H2,1H3,(H,13,16).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 268.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103726115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).