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

C12H14N4O2S2 — CID 46984967

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1O)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H14N4O2S2/c1-16(6-8-4-2-3-5-9(8)17)10(18)7-19-12-15-14-11(13)20-12/h2-5,17H,6-7H2,1H3,(H2,13,14)
InChIKeyPWXBRAGGNSEFBT-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.58
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide (PubChem CID 46984967) 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-[(2-hydroxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
PubChem CID46984967
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1O)C(=O)CSc1nnc(N)s1
InChIInChI=1S/C12H14N4O2S2/c1-16(6-8-4-2-3-5-9(8)17)10(18)7-19-12-15-14-11(13)20-12/h2-5,17H,6-7H2,1H3,(H2,13,14)
InChIKeyPWXBRAGGNSEFBT-UHFFFAOYSA-N
XLogP1.58
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide (CID 46984967) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1O)C(=O)CSc1nnc(N)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
The InChIKey is PWXBRAGGNSEFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-16(6-8-4-2-3-5-9(8)17)10(18)7-19-12-15-14-11(13)20-12/h2-5,17H,6-7H2,1H3,(H2,13,14).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide has a molecular weight of 310.40 g/mol, XLogP of 1.58, 5 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-[(2-hydroxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 46984967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).