N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine

C8H13N3S — CID 103865940

IUPACN-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC1CC1Nc1ncns1
InChIInChI=1S/C8H13N3S/c1-2-3-6-4-7(6)11-8-9-5-10-12-8/h5-7H,2-4H2,1H3,(H,9,10,11)
InChIKeyBEIAPGGOLMNCCV-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.14
Rot. Bonds4

About N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine

N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 103865940) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
PubChem CID103865940
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC NameN-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine
SMILESCCCC1CC1Nc1ncns1
InChIInChI=1S/C8H13N3S/c1-2-3-6-4-7(6)11-8-9-5-10-12-8/h5-7H,2-4H2,1H3,(H,9,10,11)
InChIKeyBEIAPGGOLMNCCV-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine (CID 103865940) is N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine is CCCC1CC1Nc1ncns1.
What is the InChIKey of N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BEIAPGGOLMNCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-3-6-4-7(6)11-8-9-5-10-12-8/h5-7H,2-4H2,1H3,(H,9,10,11).
What are the key properties of N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine?
N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 183.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylcyclopropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103865940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).