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

C10H16N6S2 — CID 139565225

IUPACN-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CCCCc2nnc(NC)s2)s1
InChIInChI=1S/C10H16N6S2/c1-11-9-15-13-7(17-9)5-3-4-6-8-14-16-10(12-2)18-8/h3-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyBMZMVUZODPEDTP-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.04
Rot. Bonds7

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

N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine (PubChem CID 139565225) has the molecular formula C10H16N6S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
PubChem CID139565225
Molecular FormulaC10H16N6S2
Molecular Weight284.41 g/mol
Exact Mass284.09
IUPAC NameN-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CCCCc2nnc(NC)s2)s1
InChIInChI=1S/C10H16N6S2/c1-11-9-15-13-7(17-9)5-3-4-6-8-14-16-10(12-2)18-8/h3-6H2,1-2H3,(H,11,15)(H,12,16)
InChIKeyBMZMVUZODPEDTP-UHFFFAOYSA-N
XLogP2.04
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[2-fluoro-6-(methylamino)-3-pyridinyl]butyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 144878561
N-methyl-5-[3-(4-methylphenoxy)propyl]-1,3,4-thiadiazol-2-amine
CID 13272840
2-(4-chlorophenyl)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139565335
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
N,N,N'-trimethyl-N'-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]propane-1,3-diamine
CID 80608780
N-methyl-5-(propylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
CID 80614345
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-pentadecyl-1,3,4-thiadiazol-2-yl)acetamide
CID 5080643
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
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine (CID 139565225) is N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(CCCCc2nnc(NC)s2)s1.
What is the InChIKey of N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BMZMVUZODPEDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S2/c1-11-9-15-13-7(17-9)5-3-4-6-8-14-16-10(12-2)18-8/h3-6H2,1-2H3,(H,11,15)(H,12,16).
What are the key properties of N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 284.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 139565225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).