2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide

C12H16F3N3O2S — CID 108768844

IUPAC2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCN(Cc1csc(CN2CCOCC2)n1)C(=O)C(F)(F)F
InChIInChI=1S/C12H16F3N3O2S/c1-17(11(19)12(13,14)15)6-9-8-21-10(16-9)7-18-2-4-20-5-3-18/h8H,2-7H2,1H3
InChIKeyDSMZMOKZBAMUAG-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.50
Rot. Bonds4

About 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide

2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 108768844) has the molecular formula C12H16F3N3O2S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID108768844
Molecular FormulaC12H16F3N3O2S
Molecular Weight323.34 g/mol
Exact Mass323.09
IUPAC Name2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCN(Cc1csc(CN2CCOCC2)n1)C(=O)C(F)(F)F
InChIInChI=1S/C12H16F3N3O2S/c1-17(11(19)12(13,14)15)6-9-8-21-10(16-9)7-18-2-4-20-5-3-18/h8H,2-7H2,1H3
InChIKeyDSMZMOKZBAMUAG-UHFFFAOYSA-N
XLogP1.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide with MolForge

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Related Compounds

N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686
2,4-dichloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108746677
3-chloro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768870
2-methoxy-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 108768850
N,2,3-trimethyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]quinoxaline-6-carboxamide
CID 108768975
(Z)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2,3-diphenylprop-2-enamide
CID 108768919
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108768953
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518
2-(2,4-dichlorophenoxy)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768954
1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954
2-(5,7-dimethyl-1,2-benzoxazol-3-yl)-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108746731

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide (CID 108768844) is 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide is CN(Cc1csc(CN2CCOCC2)n1)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is DSMZMOKZBAMUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2S/c1-17(11(19)12(13,14)15)6-9-8-21-10(16-9)7-18-2-4-20-5-3-18/h8H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 323.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 108768844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).