5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine

C7H11N3S — CID 83151019

IUPAC5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine
SMILESCC(c1nc(N)ns1)C1CC1
InChIInChI=1S/C7H11N3S/c1-4(5-2-3-5)6-9-7(8)10-11-6/h4-5H,2-3H2,1H3,(H2,8,10)
InChIKeyVOOUKZNEMPLDQI-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.63
Rot. Bonds2

About 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine

5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine (PubChem CID 83151019) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine
PubChem CID83151019
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine
SMILESCC(c1nc(N)ns1)C1CC1
InChIInChI=1S/C7H11N3S/c1-4(5-2-3-5)6-9-7(8)10-11-6/h4-5H,2-3H2,1H3,(H2,8,10)
InChIKeyVOOUKZNEMPLDQI-UHFFFAOYSA-N
XLogP1.63
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine (CID 83151019) is 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine is CC(c1nc(N)ns1)C1CC1.
What is the InChIKey of 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is VOOUKZNEMPLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-4(5-2-3-5)6-9-7(8)10-11-6/h4-5H,2-3H2,1H3,(H2,8,10).
What are the key properties of 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine?
5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 169.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylethyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 83151019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).