N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine

C8H13N3OS2 — CID 80613563

IUPACN-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSC2COC2)s1
InChIInChI=1S/C8H13N3OS2/c1-2-9-8-11-10-7(14-8)5-13-6-3-12-4-6/h6H,2-5H2,1H3,(H,9,11)
InChIKeyFOWLTGBTNHADFL-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.60
Rot. Bonds5

About N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine

N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80613563) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80613563
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC NameN-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSC2COC2)s1
InChIInChI=1S/C8H13N3OS2/c1-2-9-8-11-10-7(14-8)5-13-6-3-12-4-6/h6H,2-5H2,1H3,(H,9,11)
InChIKeyFOWLTGBTNHADFL-UHFFFAOYSA-N
XLogP1.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(oxetan-3-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80613661
5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614368
N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 130693454
5-(cyclopentylmethylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614568
N-ethyl-5-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613759
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613736
5-[[cyclopropyl(propyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606877
5-[[cyclopentyl(ethyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606575
5-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80613353
N-ethyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
CID 80613450
5-[[butan-2-yl(butyl)amino]methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607146
2-chloro-5-(oxan-4-ylsulfanylmethyl)-1,3,4-thiadiazole
CID 80606446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (CID 80613563) is N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine is CCNc1nnc(CSC2COC2)s1.
What is the InChIKey of N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FOWLTGBTNHADFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-2-9-8-11-10-7(14-8)5-13-6-3-12-4-6/h6H,2-5H2,1H3,(H,9,11).
What are the key properties of N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 231.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(oxetan-3-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).