2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide

C12H19F3N4OS — CID 174154467

IUPAC2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide
SMILESCC(C)CNc1nc(CC(C)CNC(=O)C(F)(F)F)ns1
InChIInChI=1S/C12H19F3N4OS/c1-7(2)5-17-11-18-9(19-21-11)4-8(3)6-16-10(20)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyFHLMMYRXJMWQEK-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.46
Rot. Bonds7

About 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide

2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide (PubChem CID 174154467) has the molecular formula C12H19F3N4OS and a molecular weight of 324.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide
PubChem CID174154467
Molecular FormulaC12H19F3N4OS
Molecular Weight324.37 g/mol
Exact Mass324.12
IUPAC Name2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide
SMILESCC(C)CNc1nc(CC(C)CNC(=O)C(F)(F)F)ns1
InChIInChI=1S/C12H19F3N4OS/c1-7(2)5-17-11-18-9(19-21-11)4-8(3)6-16-10(20)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,20)(H,17,18,19)
InChIKeyFHLMMYRXJMWQEK-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide with MolForge

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Related Compounds

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]acetamide
CID 107304723
N,N-diethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304753
N-butan-2-yl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304776
N-propyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107304882
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107305099
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305106
N-ethyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305112
N-tert-butyl-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305113
N-(2-methylpropyl)-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 107305114
N-[2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethyl]cyclopropanecarboxamide
CID 107305152
N-propyl-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 113943924

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide (CID 174154467) is 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide is CC(C)CNc1nc(CC(C)CNC(=O)C(F)(F)F)ns1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide?
The InChIKey is FHLMMYRXJMWQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4OS/c1-7(2)5-17-11-18-9(19-21-11)4-8(3)6-16-10(20)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,20)(H,17,18,19).
What are the key properties of 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide?
2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide has a molecular weight of 324.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide is sourced from PubChem (CID 174154467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).