2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C12H13FN4OS2 — CID 9199506

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H13FN4OS2/c1-17(6-8-4-2-3-5-9(8)13)10(18)7-19-12-16-15-11(14)20-12/h2-5H,6-7H2,1H3,(H2,14,15)
InChIKeyZQOAKUGRWRYFPG-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.01
Rot. Bonds5

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 9199506) has the molecular formula C12H13FN4OS2 and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID9199506
Molecular FormulaC12H13FN4OS2
Molecular Weight312.40 g/mol
Exact Mass312.05
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H13FN4OS2/c1-17(6-8-4-2-3-5-9(8)13)10(18)7-19-12-16-15-11(14)20-12/h2-5H,6-7H2,1H3,(H2,14,15)
InChIKeyZQOAKUGRWRYFPG-UHFFFAOYSA-N
XLogP2.01
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 7560171
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 43250307
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9199486
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 86283847
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8569553
2-(2-chlorophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 112789832
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide
CID 46988998
ethyl 2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetate
CID 78812762
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-phenylethyl)acetamide
CID 4814614
N-[(2-fluorophenyl)methyl]-2-(3-hydroxypropylsulfanyl)-N-methylacetamide
CID 66112745
N-[(2-aminophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 43458424
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-benzyl-N-(2-methoxyethyl)acetamide
CID 9199507

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 9199506) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is ZQOAKUGRWRYFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4OS2/c1-17(6-8-4-2-3-5-9(8)13)10(18)7-19-12-16-15-11(14)20-12/h2-5H,6-7H2,1H3,(H2,14,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 312.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 9199506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).