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

C6H11N3S2 — CID 61386357

IUPACN-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCCNCCSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-2-7-3-4-10-6-9-8-5-11-6/h5,7H,2-4H2,1H3
InChIKeyPFUBEMQHTDZBGG-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.24
Rot. Bonds5

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

N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (PubChem CID 61386357) has the molecular formula C6H11N3S2 and a molecular weight of 189.31 g/mol. Its IUPAC name is N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
PubChem CID61386357
Molecular FormulaC6H11N3S2
Molecular Weight189.31 g/mol
Exact Mass189.04
IUPAC NameN-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
SMILESCCNCCSc1nncs1
InChIInChI=1S/C6H11N3S2/c1-2-7-3-4-10-6-9-8-5-11-6/h5,7H,2-4H2,1H3
InChIKeyPFUBEMQHTDZBGG-UHFFFAOYSA-N
XLogP1.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.24
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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Related Compounds

2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62576233
2,2,2-trifluoro-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]ethanamine
CID 62576645
2,2,2-trifluoro-N-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]ethanamine
CID 115383699
2-(1,3,4-Thiadiazol-2-ylthio)ethanamine
CID 28374320
5-[2-(Dimethylazaniumyl)ethylsulfanyl]-1,3,4-thiadiazole-2-thiolate
CID 28434790
N,N-diethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 54215303
3-(1,3,4-Thiadiazol-2-ylsulfanyl)propan-1-amine
CID 28374322
3-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 60915394
N-methyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine
CID 61386341
N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 61386342
N-propan-2-yl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386355
N-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61386358

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine (CID 61386357) is N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine is CCNCCSc1nncs1.
What is the InChIKey of N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
The InChIKey is PFUBEMQHTDZBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S2/c1-2-7-3-4-10-6-9-8-5-11-6/h5,7H,2-4H2,1H3.
What are the key properties of N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine?
N-ethyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanamine has a molecular weight of 189.31 g/mol, XLogP of 1.24, 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)ethanamine is sourced from PubChem (CID 61386357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).