2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide

C15H22N8O3S2 — CID 139565342

IUPAC2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide
SMILESCNC(=O)C(CC(=O)Nc1nnc(CCCCc2nnc(NC)s2)s1)NC=O
InChIInChI=1S/C15H22N8O3S2/c1-16-13(26)9(18-8-24)7-10(25)19-15-23-21-12(28-15)6-4-3-5-11-20-22-14(17-2)27-11/h8-9H,3-7H2,1-2H3,(H,16,26)(H,17,22)(H,18,24)(H,19,23,25)
InChIKeyXRHRMGLDZCFXOR-UHFFFAOYSA-N
MW426.53 g/mol
LogP0.19
Rot. Bonds12

About 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide

2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide (PubChem CID 139565342) has the molecular formula C15H22N8O3S2 and a molecular weight of 426.53 g/mol. Its IUPAC name is 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide.

Molecular Properties

Compound Name2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide
PubChem CID139565342
Molecular FormulaC15H22N8O3S2
Molecular Weight426.53 g/mol
Exact Mass426.13
IUPAC Name2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide
SMILESCNC(=O)C(CC(=O)Nc1nnc(CCCCc2nnc(NC)s2)s1)NC=O
InChIInChI=1S/C15H22N8O3S2/c1-16-13(26)9(18-8-24)7-10(25)19-15-23-21-12(28-15)6-4-3-5-11-20-22-14(17-2)27-11/h8-9H,3-7H2,1-2H3,(H,16,26)(H,17,22)(H,18,24)(H,19,23,25)
InChIKeyXRHRMGLDZCFXOR-UHFFFAOYSA-N
XLogP0.19
TPSA150.89 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide 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-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 139565225
2-(4-chlorophenyl)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139565335
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
3-methyl-N-[5-[4-[5-(4-methylpentan-2-ylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 139491792
2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 144641051
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486
N-[5-(4-aminobutyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 82176715
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
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

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide?
The IUPAC name of 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide (CID 139565342) is 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide.
What is the SMILES notation for 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide?
The canonical SMILES for 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide is CNC(=O)C(CC(=O)Nc1nnc(CCCCc2nnc(NC)s2)s1)NC=O.
What is the InChIKey of 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide?
The InChIKey is XRHRMGLDZCFXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N8O3S2/c1-16-13(26)9(18-8-24)7-10(25)19-15-23-21-12(28-15)6-4-3-5-11-20-22-14(17-2)27-11/h8-9H,3-7H2,1-2H3,(H,16,26)(H,17,22)(H,18,24)(H,19,23,25).
What are the key properties of 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide?
2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide has a molecular weight of 426.53 g/mol, XLogP of 0.19, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-methyl-N'-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]butanediamide is sourced from PubChem (CID 139565342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).