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

C12H14N4OS2 — CID 1332758

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nnc(N)s2)cc1
InChIInChI=1S/C12H14N4OS2/c1-8-2-4-9(5-3-8)6-14-10(17)7-18-12-16-15-11(13)19-12/h2-5H,6-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyVTNDEQVFVOBORT-UHFFFAOYSA-N
MW294.41 g/mol
LogP1.84
Rot. Bonds5

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 1332758) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID1332758
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CSc2nnc(N)s2)cc1
InChIInChI=1S/C12H14N4OS2/c1-8-2-4-9(5-3-8)6-14-10(17)7-18-12-16-15-11(13)19-12/h2-5H,6-7H2,1H3,(H2,13,15)(H,14,17)
InChIKeyVTNDEQVFVOBORT-UHFFFAOYSA-N
XLogP1.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide (CID 1332758) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CSc2nnc(N)s2)cc1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is VTNDEQVFVOBORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-8-2-4-9(5-3-8)6-14-10(17)7-18-12-16-15-11(13)19-12/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-methylphenyl)methyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 294.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 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-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 1332758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).