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

C7H13N3S2 — CID 61386359

IUPACN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
SMILESCC(C)NCCSc1nncs1
InChIInChI=1S/C7H13N3S2/c1-6(2)8-3-4-11-7-10-9-5-12-7/h5-6,8H,3-4H2,1-2H3
InChIKeyCGVATLILKOIPIY-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.63
Rot. Bonds5

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

N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine (PubChem CID 61386359) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
PubChem CID61386359
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine
SMILESCC(C)NCCSc1nncs1
InChIInChI=1S/C7H13N3S2/c1-6(2)8-3-4-11-7-10-9-5-12-7/h5-6,8H,3-4H2,1-2H3
InChIKeyCGVATLILKOIPIY-UHFFFAOYSA-N
XLogP1.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.63
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]propan-2-amine?
The IUPAC name of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine (CID 61386359) is N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine is CC(C)NCCSc1nncs1.
What is the InChIKey of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
The InChIKey is CGVATLILKOIPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-6(2)8-3-4-11-7-10-9-5-12-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine?
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-2-amine has a molecular weight of 203.34 g/mol, XLogP of 1.63, 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]propan-2-amine is sourced from PubChem (CID 61386359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).