2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine

C11H19N3S — CID 65280554

IUPAC2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3S/c1-4-9(12-3)7(2)11-13-10(14-15-11)8-5-6-8/h7-9,12H,4-6H2,1-3H3
InChIKeyBVXWRJUNFUUTSI-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.52
Rot. Bonds5

About 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine

2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine (PubChem CID 65280554) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine
PubChem CID65280554
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine
SMILESCCC(NC)C(C)c1nc(C2CC2)ns1
InChIInChI=1S/C11H19N3S/c1-4-9(12-3)7(2)11-13-10(14-15-11)8-5-6-8/h7-9,12H,4-6H2,1-3H3
InChIKeyBVXWRJUNFUUTSI-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine (CID 65280554) is 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine is CCC(NC)C(C)c1nc(C2CC2)ns1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine?
The InChIKey is BVXWRJUNFUUTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-9(12-3)7(2)11-13-10(14-15-11)8-5-6-8/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine?
2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine has a molecular weight of 225.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpentan-3-amine is sourced from PubChem (CID 65280554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).