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

C7H13N3S2 — CID 62576236

IUPACN-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCCNCC(C)Sc1nncs1
InChIInChI=1S/C7H13N3S2/c1-3-8-4-6(2)12-7-10-9-5-11-7/h5-6,8H,3-4H2,1-2H3
InChIKeyIBZDFNKGUJMMAJ-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.63
Rot. Bonds5

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

N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (PubChem CID 62576236) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
PubChem CID62576236
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
SMILESCCNCC(C)Sc1nncs1
InChIInChI=1S/C7H13N3S2/c1-3-8-4-6(2)12-7-10-9-5-11-7/h5-6,8H,3-4H2,1-2H3
InChIKeyIBZDFNKGUJMMAJ-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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine (CID 62576236) is N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is CCNCC(C)Sc1nncs1.
What is the InChIKey of N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is IBZDFNKGUJMMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-3-8-4-6(2)12-7-10-9-5-11-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine?
N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-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-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 62576236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).