2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C17H19F3N4OS2 — CID 3987628

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1
InChIInChI=1S/C17H19F3N4OS2/c1-11-22-23-16(27-11)26-10-15(25)21-13-9-12(17(18,19)20)5-6-14(13)24-7-3-2-4-8-24/h5-6,9H,2-4,7-8,10H2,1H3,(H,21,25)
InChIKeyZGBUOZLZKGQUJT-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.59
Rot. Bonds5

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 3987628) has the molecular formula C17H19F3N4OS2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID3987628
Molecular FormulaC17H19F3N4OS2
Molecular Weight416.49 g/mol
Exact Mass416.10
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1
InChIInChI=1S/C17H19F3N4OS2/c1-11-22-23-16(27-11)26-10-15(25)21-13-9-12(17(18,19)20)5-6-14(13)24-7-3-2-4-8-24/h5-6,9H,2-4,7-8,10H2,1H3,(H,21,25)
InChIKeyZGBUOZLZKGQUJT-UHFFFAOYSA-N
XLogP4.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2207657
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 9231136
2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 3574156
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55839744
2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2099619
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 3472528
N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4118004
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1009399
2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 5041418
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 134065412

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 3987628) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZGBUOZLZKGQUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4OS2/c1-11-22-23-16(27-11)26-10-15(25)21-13-9-12(17(18,19)20)5-6-14(13)24-7-3-2-4-8-24/h5-6,9H,2-4,7-8,10H2,1H3,(H,21,25).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 416.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3987628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).