2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

C14H14F3N5O2S2 — CID 2460900

IUPAC2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C14H14F3N5O2S2/c1-22(11(24)7-25-13-21-20-12(18)26-13)6-10(23)19-9-5-3-2-4-8(9)14(15,16)17/h2-5H,6-7H2,1H3,(H2,18,20)(H,19,23)
InChIKeyUNAALQUMKLKFAI-UHFFFAOYSA-N
MW405.43 g/mol
LogP2.33
Rot. Bonds6

About 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2460900) has the molecular formula C14H14F3N5O2S2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID2460900
Molecular FormulaC14H14F3N5O2S2
Molecular Weight405.43 g/mol
Exact Mass405.05
IUPAC Name2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C14H14F3N5O2S2/c1-22(11(24)7-25-13-21-20-12(18)26-13)6-10(23)19-9-5-3-2-4-8(9)14(15,16)17/h2-5H,6-7H2,1H3,(H2,18,20)(H,19,23)
InChIKeyUNAALQUMKLKFAI-UHFFFAOYSA-N
XLogP2.33
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-cyanophenyl)acetamide
CID 2162574
N-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 3418404
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
CID 2991656
2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,2,4-trimethylquinolin-1-yl)ethanone
CID 845793
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide
CID 1289394
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2460687
2-[[2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2581900
2-[[2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]-N-(2-ethylphenyl)acetamide
CID 2583864
N-(2-((2-Ethylphenyl)amino)-2-oxoethyl)-N-methyl-2-((5-(m-tolylamino)-1,3,4-thiadiazol-2-yl)thio)acetamide
CID 15945270
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 708016
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 840136
2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-methylphenyl)acetamide
CID 685006

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 2460900) is 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UNAALQUMKLKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2S2/c1-22(11(24)7-25-13-21-20-12(18)26-13)6-10(23)19-9-5-3-2-4-8(9)14(15,16)17/h2-5H,6-7H2,1H3,(H2,18,20)(H,19,23).
What are the key properties of 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 405.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2460900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).