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

C15H16N6O3S3 — CID 144922039

IUPACN-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide
SMILESO=CNc1nnc(CCSCCc2nnc(NC(=O)Cc3ccco3)s2)s1
InChIInChI=1S/C15H16N6O3S3/c22-9-16-14-20-18-12(26-14)3-6-25-7-4-13-19-21-15(27-13)17-11(23)8-10-2-1-5-24-10/h1-2,5,9H,3-4,6-8H2,(H,16,20,22)(H,17,21,23)
InChIKeyVQFTXNKENYRALW-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.25
Rot. Bonds11

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

N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide (PubChem CID 144922039) has the molecular formula C15H16N6O3S3 and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide.

Molecular Properties

Compound NameN-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide
PubChem CID144922039
Molecular FormulaC15H16N6O3S3
Molecular Weight424.53 g/mol
Exact Mass424.04
IUPAC NameN-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide
SMILESO=CNc1nnc(CCSCCc2nnc(NC(=O)Cc3ccco3)s2)s1
InChIInChI=1S/C15H16N6O3S3/c22-9-16-14-20-18-12(26-14)3-6-25-7-4-13-19-21-15(27-13)17-11(23)8-10-2-1-5-24-10/h1-2,5,9H,3-4,6-8H2,(H,16,20,22)(H,17,21,23)
InChIKeyVQFTXNKENYRALW-UHFFFAOYSA-N
XLogP2.25
TPSA122.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-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

Related Compounds

N-[5-[2-[2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3881316
[5-[2-[2-[5-(carbamoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]urea
CID 139565239
N-[5-[2-[2-[5-[[2-[6-(hydroxymethyl)-3-methylcyclohexa-1,5-dien-1-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-[2-(hydroxymethyl)phenyl]acetamide
CID 145168285
2-(hydroxymethyl)-N-[5-[2-[2-[5-[[2-(hydroxymethyl)benzoyl]amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 74982501
[2-oxo-1-phenyl-2-[[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]amino]ethyl] acetate
CID 123347747
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
2-phenyl-N-[5-[5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982401
2-hydroxy-N-[5-[2-[2-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide
CID 146626394
[3-[2-[[5-[2-[2-[5-[[2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]phenyl]carbamic acid
CID 118374285
2-methoxy-N-[5-[2-[2-[5-[(2-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3112374
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
N-(5-propyl-1,3,4-thiadiazol-2-yl)formamide
CID 21239238

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide?
The IUPAC name of N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide (CID 144922039) is N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide.
What is the SMILES notation for N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide?
The canonical SMILES for N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide is O=CNc1nnc(CCSCCc2nnc(NC(=O)Cc3ccco3)s2)s1.
What is the InChIKey of N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide?
The InChIKey is VQFTXNKENYRALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S3/c22-9-16-14-20-18-12(26-14)3-6-25-7-4-13-19-21-15(27-13)17-11(23)8-10-2-1-5-24-10/h1-2,5,9H,3-4,6-8H2,(H,16,20,22)(H,17,21,23).
What are the key properties of N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide?
N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide has a molecular weight of 424.53 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-(5-formamido-1,3,4-thiadiazol-2-yl)ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]-2-(furan-2-yl)acetamide is sourced from PubChem (CID 144922039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).