3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide

C16H24N6O4S2 — CID 74982461

IUPAC3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOCCC(=O)Nc1nnc(CCCCc2nnc(NC(=O)CCOC)s2)s1
InChIInChI=1S/C16H24N6O4S2/c1-25-9-7-11(23)17-15-21-19-13(27-15)5-3-4-6-14-20-22-16(28-14)18-12(24)8-10-26-2/h3-10H2,1-2H3,(H,17,21,23)(H,18,22,24)
InChIKeyOCHYZKGGOWMYKM-UHFFFAOYSA-N
MW428.54 g/mol
LogP1.90
Rot. Bonds13

About 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide

3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 74982461) has the molecular formula C16H24N6O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID74982461
Molecular FormulaC16H24N6O4S2
Molecular Weight428.54 g/mol
Exact Mass428.13
IUPAC Name3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOCCC(=O)Nc1nnc(CCCCc2nnc(NC(=O)CCOC)s2)s1
InChIInChI=1S/C16H24N6O4S2/c1-25-9-7-11(23)17-15-21-19-13(27-15)5-3-4-6-14-20-22-16(28-14)18-12(24)8-10-26-2/h3-10H2,1-2H3,(H,17,21,23)(H,18,22,24)
InChIKeyOCHYZKGGOWMYKM-UHFFFAOYSA-N
XLogP1.90
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 74982461) is 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide is COCCC(=O)Nc1nnc(CCCCc2nnc(NC(=O)CCOC)s2)s1.
What is the InChIKey of 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is OCHYZKGGOWMYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O4S2/c1-25-9-7-11(23)17-15-21-19-13(27-15)5-3-4-6-14-20-22-16(28-14)18-12(24)8-10-26-2/h3-10H2,1-2H3,(H,17,21,23)(H,18,22,24).
What are the key properties of 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide?
3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 428.54 g/mol, XLogP of 1.90, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-[4-[5-(3-methoxypropanoylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 74982461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).