2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

C19H24N6O2S2 — CID 139565233

IUPAC2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCNc1nnc(CCCCc2nnc(NC(=O)COc3cc(C)ccc3C)s2)s1
InChIInChI=1S/C19H24N6O2S2/c1-12-8-9-13(2)14(10-12)27-11-15(26)21-19-25-23-17(29-19)7-5-4-6-16-22-24-18(20-3)28-16/h8-10H,4-7,11H2,1-3H3,(H,20,24)(H,21,25,26)
InChIKeyQZYQPIGVZSWLET-UHFFFAOYSA-N
MW432.58 g/mol
LogP3.63
Rot. Bonds10

About 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide

2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 139565233) has the molecular formula C19H24N6O2S2 and a molecular weight of 432.58 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID139565233
Molecular FormulaC19H24N6O2S2
Molecular Weight432.58 g/mol
Exact Mass432.14
IUPAC Name2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCNc1nnc(CCCCc2nnc(NC(=O)COc3cc(C)ccc3C)s2)s1
InChIInChI=1S/C19H24N6O2S2/c1-12-8-9-13(2)14(10-12)27-11-15(26)21-19-25-23-17(29-19)7-5-4-6-16-22-24-18(20-3)28-16/h8-10H,4-7,11H2,1-3H3,(H,20,24)(H,21,25,26)
InChIKeyQZYQPIGVZSWLET-UHFFFAOYSA-N
XLogP3.63
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethylphenoxy)acetamide
CID 8918792
N-[5-[2-(2,5-dimethylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 71946146
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 715604
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,3-dimethylphenoxy)acetamide
CID 19178772
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
2-(4-chloro-2-methylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109772
4-amino-N-[5-[3-(2,4-dimethylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 39182914
2-(4-chloro-3-methylphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 16551051
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173020
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 82176492
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-(2-phenylphenoxy)acetamide
CID 7751334

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 139565233) is 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is CNc1nnc(CCCCc2nnc(NC(=O)COc3cc(C)ccc3C)s2)s1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is QZYQPIGVZSWLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S2/c1-12-8-9-13(2)14(10-12)27-11-15(26)21-19-25-23-17(29-19)7-5-4-6-16-22-24-18(20-3)28-16/h8-10H,4-7,11H2,1-3H3,(H,20,24)(H,21,25,26).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 432.58 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 139565233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).