N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide

C9H11F3N2O2S — CID 60555299

IUPACN-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)N(C)c1nccs1
InChIInChI=1S/C9H11F3N2O2S/c1-6(16-5-9(10,11)12)7(15)14(2)8-13-3-4-17-8/h3-4,6H,5H2,1-2H3
InChIKeyZDXYPICJIVZGAC-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.07
Rot. Bonds4

About N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide

N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 60555299) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID60555299
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC NameN-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)N(C)c1nccs1
InChIInChI=1S/C9H11F3N2O2S/c1-6(16-5-9(10,11)12)7(15)14(2)8-13-3-4-17-8/h3-4,6H,5H2,1-2H3
InChIKeyZDXYPICJIVZGAC-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
CID 110268126
2-(methylethoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 43853845
2-ethoxy-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide
CID 75373720
2-(cyclopropylmethoxy)-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)propanamide
CID 75373729
1-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45819791
N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45863371
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 71672318
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(1,3-thiazol-2-yl)propanamide
CID 71672747
4,4,4-trifluoro-N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)butanamide
CID 75373706
1-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 86990295
(2S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 93931364
(2R)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 93931365

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 60555299) is N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)N(C)c1nccs1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is ZDXYPICJIVZGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-6(16-5-9(10,11)12)7(15)14(2)8-13-3-4-17-8/h3-4,6H,5H2,1-2H3.
What are the key properties of N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 268.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-2-yl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 60555299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).