5-ethyl-1,3,4-thiadiazol-2-amine

C4H7N3S — CID 26444

IUPAC5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(N)s1
InChIInChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKeyQXTRPGAMVIONMK-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.68
Rot. Bonds1

About 5-ethyl-1,3,4-thiadiazol-2-amine

5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 26444) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is 5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID26444
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC Name5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(N)s1
InChIInChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKeyQXTRPGAMVIONMK-UHFFFAOYSA-N
XLogP0.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Thiadiazole, 2-amino-5-methyl-
CID 66949
Buthidazolamine
CID 170170
5-Pentyl-1,3,4-thiadiazol-2-amine
CID 1622360
5-Propyl-1,3,4-thiadiazol-2-amine
CID 575394
5-Cyclopropyl-1,3,4-thiadiazol-2-amine
CID 717021
1,3,4-Thiadiazole, 2-amino-5-methyl-, hydrochloride
CID 3044825
5-(2-Chloroethyl)-1,3,4-thiadiazol-2-amine
CID 15031707
5-Hexyl-1,3,4-thiadiazol-2-amine
CID 1895039
5-Isopropyl-1,3,4-thiadiazol-2-amine
CID 147151
5-(2-Methylpropyl)-1,3,4-thiadiazol-2-amine
CID 234308
5-Butyl-1,3,4-thiadiazol-2-amine
CID 1622592
2-(5-Amino-1,3,4-thiadiazol-2-yl)ethanethial
CID 54550917

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-1,3,4-thiadiazol-2-amine (CID 26444) is 5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(N)s1.
What is the InChIKey of 5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QXTRPGAMVIONMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7).
What are the key properties of 5-ethyl-1,3,4-thiadiazol-2-amine?
5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 129.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 26444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).