2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide

C16H18F3N5OS — CID 171998689

IUPAC2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)C1CN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C16H18F3N5OS/c1-23(9-15(25)20-6-12-3-2-4-26-12)11-7-24(8-11)14-5-13(16(17,18)19)21-10-22-14/h2-5,10-11H,6-9H2,1H3,(H,20,25)
InChIKeyWEFSZYATLMGQMT-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.99
Rot. Bonds6

About 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide

2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 171998689) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID171998689
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC Name2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)NCc1cccs1)C1CN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C16H18F3N5OS/c1-23(9-15(25)20-6-12-3-2-4-26-12)11-7-24(8-11)14-5-13(16(17,18)19)21-10-22-14/h2-5,10-11H,6-9H2,1H3,(H,20,25)
InChIKeyWEFSZYATLMGQMT-UHFFFAOYSA-N
XLogP1.99
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 171704511
N-(2-thiophen-2-ylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892471
2-[[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]-N-(thiophen-2-ylmethyl)acetamide;formic acid
CID 154914261
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 9113454
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 78957766
2,6-dimethyl-4-[6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 172900300
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 27068240
2-amino-N-methyl-2-(oxan-4-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]acetamide
CID 120793298
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456
2-[methyl(1-thiophen-2-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 51271574
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 71928394
3-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 162572054

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide (CID 171998689) is 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)NCc1cccs1)C1CN(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WEFSZYATLMGQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-23(9-15(25)20-6-12-3-2-4-26-12)11-7-24(8-11)14-5-13(16(17,18)19)21-10-22-14/h2-5,10-11H,6-9H2,1H3,(H,20,25).
What are the key properties of 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide?
2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-[6-(trifluoromethyl)pyrimidin-4-yl]azetidin-3-yl]amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 171998689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).