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

C15H21N5OS2 — CID 1289394

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C
InChIInChI=1S/C15H21N5OS2/c1-4-20(5-2)12-7-6-11(8-10(12)3)17-13(21)9-22-15-19-18-14(16)23-15/h6-8H,4-5,9H2,1-3H3,(H2,16,18)(H,17,21)
InChIKeyCPJGFGMRWWUAHN-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.01
Rot. Bonds7

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide (PubChem CID 1289394) has the molecular formula C15H21N5OS2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide
PubChem CID1289394
Molecular FormulaC15H21N5OS2
Molecular Weight351.50 g/mol
Exact Mass351.12
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C
InChIInChI=1S/C15H21N5OS2/c1-4-20(5-2)12-7-6-11(8-10(12)3)17-13(21)9-22-15-19-18-14(16)23-15/h6-8H,4-5,9H2,1-3H3,(H2,16,18)(H,17,21)
InChIKeyCPJGFGMRWWUAHN-UHFFFAOYSA-N
XLogP3.01
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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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-(diethylamino)-3-methylphenyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide (CID 1289394) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide is CCN(CC)c1ccc(NC(=O)CSc2nnc(N)s2)cc1C.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide?
The InChIKey is CPJGFGMRWWUAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS2/c1-4-20(5-2)12-7-6-11(8-10(12)3)17-13(21)9-22-15-19-18-14(16)23-15/h6-8H,4-5,9H2,1-3H3,(H2,16,18)(H,17,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(diethylamino)-3-methylphenyl]acetamide has a molecular weight of 351.50 g/mol, XLogP of 3.01, 7 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-(diethylamino)-3-methylphenyl]acetamide is sourced from PubChem (CID 1289394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).