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

C13H16N4O2S2 — CID 7560171

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H16N4O2S2/c1-17(7-9-5-3-4-6-10(9)19-2)11(18)8-20-13-16-15-12(14)21-13/h3-6H,7-8H2,1-2H3,(H2,14,15)
InChIKeyKAIBLQHQQIHPHA-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.88
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 7560171) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID7560171
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C13H16N4O2S2/c1-17(7-9-5-3-4-6-10(9)19-2)11(18)8-20-13-16-15-12(14)21-13/h3-6H,7-8H2,1-2H3,(H2,14,15)
InChIKeyKAIBLQHQQIHPHA-UHFFFAOYSA-N
XLogP1.88
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 9199506
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methylacetamide
CID 46988998
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 43909023
2-(4-hydroxyphenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 51099203
2-[[4-amino-5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 55357693
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9199486
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide
CID 17446702
2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9199505
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 86283847
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-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide (CID 7560171) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide is COc1ccccc1CN(C)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is KAIBLQHQQIHPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-17(7-9-5-3-4-6-10(9)19-2)11(18)8-20-13-16-15-12(14)21-13/h3-6H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 324.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 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-[(2-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 7560171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).