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

C12H14N4O2S2 — CID 3150891

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nnc(N)s2)cc1
InChIInChI=1S/C12H14N4O2S2/c1-18-9-4-2-8(3-5-9)6-14-10(17)7-19-12-16-15-11(13)20-12/h2-5H,6-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyYAWHZTKAUNIBKJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.54
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 3150891) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID3150891
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSc2nnc(N)s2)cc1
InChIInChI=1S/C12H14N4O2S2/c1-18-9-4-2-8(3-5-9)6-14-10(17)7-19-12-16-15-11(13)20-12/h2-5H,6-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyYAWHZTKAUNIBKJ-UHFFFAOYSA-N
XLogP1.54
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Methoxyphenyl)-5-methyl-2,5-dihydro-1,3-thiazol-4-ol
CID 2839874
Cyclopropanecarboxylic acid {5-[(4-methoxy-benzylcarbamoyl)-methylsulfanyl]-[1,3,4]thiadiazol-2-yl}-amide
CID 1462693
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 4843293
N-[5-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 24762116
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763193
2-(4-Methoxyphenyl)-1,3-thiazolidin-4-one
CID 3158592
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-(4-methoxy-benzyl)-acetamide
CID 647977
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532354
2-Fluoro-N-{5-[(4-methoxy-benzylcarbamoyl)-methylsulfanyl]-[1,3,4]thiadiazol-2-yl}-benzamide
CID 24792708
2-(4-methoxyphenyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1,3-thiazolidin-4-one
CID 145975063
2-((5-acetamido-1,3,4-thiadiazol-2-yl)thio)-N-(3,4-dimethoxyphenethyl)acetamide
CID 2181028
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2339494

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide (CID 3150891) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSc2nnc(N)s2)cc1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is YAWHZTKAUNIBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-18-9-4-2-8(3-5-9)6-14-10(17)7-19-12-16-15-11(13)20-12/h2-5H,6-7H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 310.40 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3150891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).