N-undecyl-1,3,4-thiadiazol-2-amine

C13H25N3S — CID 139908909

IUPACN-undecyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCCCCCCCNc1nncs1
InChIInChI=1S/C13H25N3S/c1-2-3-4-5-6-7-8-9-10-11-14-13-16-15-12-17-13/h12H,2-11H2,1H3,(H,14,16)
InChIKeyYKEHNUCYXBUAID-UHFFFAOYSA-N
MW255.43 g/mol
LogP4.48
Rot. Bonds11

About N-undecyl-1,3,4-thiadiazol-2-amine

N-undecyl-1,3,4-thiadiazol-2-amine (PubChem CID 139908909) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-undecyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-undecyl-1,3,4-thiadiazol-2-amine
PubChem CID139908909
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-undecyl-1,3,4-thiadiazol-2-amine
SMILESCCCCCCCCCCCNc1nncs1
InChIInChI=1S/C13H25N3S/c1-2-3-4-5-6-7-8-9-10-11-14-13-16-15-12-17-13/h12H,2-11H2,1H3,(H,14,16)
InChIKeyYKEHNUCYXBUAID-UHFFFAOYSA-N
XLogP4.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-undecyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-undecyl-1,3,4-thiadiazol-2-amine (CID 139908909) is N-undecyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-undecyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-undecyl-1,3,4-thiadiazol-2-amine is CCCCCCCCCCCNc1nncs1.
What is the InChIKey of N-undecyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YKEHNUCYXBUAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-2-3-4-5-6-7-8-9-10-11-14-13-16-15-12-17-13/h12H,2-11H2,1H3,(H,14,16).
What are the key properties of N-undecyl-1,3,4-thiadiazol-2-amine?
N-undecyl-1,3,4-thiadiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-undecyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 139908909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).