2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide

C19H25N5O2S3 — CID 147980743

IUPAC2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1nnc(CCSCCc2nnc(NC(=O)CC3CC3)s2)s1)CC1CC1
InChIInChI=1S/C19H25N5O2S3/c25-14(9-12-1-2-12)11-18-23-21-16(28-18)5-7-27-8-6-17-22-24-19(29-17)20-15(26)10-13-3-4-13/h12-13H,1-11H2,(H,20,24,26)
InChIKeyITEBYYCNIDWCSP-UHFFFAOYSA-N
MW451.64 g/mol
LogP3.56
Rot. Bonds13

About 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide

2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 147980743) has the molecular formula C19H25N5O2S3 and a molecular weight of 451.64 g/mol. Its IUPAC name is 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID147980743
Molecular FormulaC19H25N5O2S3
Molecular Weight451.64 g/mol
Exact Mass451.12
IUPAC Name2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESO=C(Cc1nnc(CCSCCc2nnc(NC(=O)CC3CC3)s2)s1)CC1CC1
InChIInChI=1S/C19H25N5O2S3/c25-14(9-12-1-2-12)11-18-23-21-16(28-18)5-7-27-8-6-17-22-24-19(29-17)20-15(26)10-13-3-4-13/h12-13H,1-11H2,(H,20,24,26)
InChIKeyITEBYYCNIDWCSP-UHFFFAOYSA-N
XLogP3.56
TPSA97.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide 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-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 147980743) is 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide is O=C(Cc1nnc(CCSCCc2nnc(NC(=O)CC3CC3)s2)s1)CC1CC1.
What is the InChIKey of 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ITEBYYCNIDWCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S3/c25-14(9-12-1-2-12)11-18-23-21-16(28-18)5-7-27-8-6-17-22-24-19(29-17)20-15(26)10-13-3-4-13/h12-13H,1-11H2,(H,20,24,26).
What are the key properties of 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide?
2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 451.64 g/mol, XLogP of 3.56, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[5-[2-[2-[5-(3-cyclopropyl-2-oxopropyl)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 147980743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).