5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole

C10H14BrN3S — CID 80667090

IUPAC5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
SMILESBrCC1CCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C10H14BrN3S/c11-6-8-2-1-5-14(8)10-12-9(13-15-10)7-3-4-7/h7-8H,1-6H2
InChIKeyPMYHVFBRBSNZCX-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.78
Rot. Bonds3

About 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole

5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 80667090) has the molecular formula C10H14BrN3S and a molecular weight of 288.21 g/mol. Its IUPAC name is 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID80667090
Molecular FormulaC10H14BrN3S
Molecular Weight288.21 g/mol
Exact Mass287.01
IUPAC Name5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole
SMILESBrCC1CCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C10H14BrN3S/c11-6-8-2-1-5-14(8)10-12-9(13-15-10)7-3-4-7/h7-8H,1-6H2
InChIKeyPMYHVFBRBSNZCX-UHFFFAOYSA-N
XLogP2.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole (CID 80667090) is 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole is BrCC1CCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is PMYHVFBRBSNZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3S/c11-6-8-2-1-5-14(8)10-12-9(13-15-10)7-3-4-7/h7-8H,1-6H2.
What are the key properties of 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole?
5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 288.21 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(bromomethyl)pyrrolidin-1-yl]-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 80667090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).