N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine

C7H11N3S2 — CID 61386374

IUPACN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine
SMILESc1nnc(SCCNC2CC2)s1
InChIInChI=1S/C7H11N3S2/c1-2-6(1)8-3-4-11-7-10-9-5-12-7/h5-6,8H,1-4H2
InChIKeyHFYIEIZBCOCVAA-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine

N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine (PubChem CID 61386374) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine
PubChem CID61386374
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC NameN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine
SMILESc1nnc(SCCNC2CC2)s1
InChIInChI=1S/C7H11N3S2/c1-2-6(1)8-3-4-11-7-10-9-5-12-7/h5-6,8H,1-4H2
InChIKeyHFYIEIZBCOCVAA-UHFFFAOYSA-N
XLogP1.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine (CID 61386374) is N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine is c1nnc(SCCNC2CC2)s1.
What is the InChIKey of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine?
The InChIKey is HFYIEIZBCOCVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-2-6(1)8-3-4-11-7-10-9-5-12-7/h5-6,8H,1-4H2.
What are the key properties of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine?
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine has a molecular weight of 201.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopropanamine is sourced from PubChem (CID 61386374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).