2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole

C6H7BrN2S — CID 63384137

IUPAC2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole
SMILESBrc1nnc(CC2CC2)s1
InChIInChI=1S/C6H7BrN2S/c7-6-9-8-5(10-6)3-4-1-2-4/h4H,1-3H2
InChIKeyYLXFPIWLAWPFIO-UHFFFAOYSA-N
MW219.11 g/mol
LogP2.25
Rot. Bonds2

About 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole

2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole (PubChem CID 63384137) has the molecular formula C6H7BrN2S and a molecular weight of 219.11 g/mol. Its IUPAC name is 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole
PubChem CID63384137
Molecular FormulaC6H7BrN2S
Molecular Weight219.11 g/mol
Exact Mass217.95
IUPAC Name2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole
SMILESBrc1nnc(CC2CC2)s1
InChIInChI=1S/C6H7BrN2S/c7-6-9-8-5(10-6)3-4-1-2-4/h4H,1-3H2
InChIKeyYLXFPIWLAWPFIO-UHFFFAOYSA-N
XLogP2.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole (CID 63384137) is 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole is Brc1nnc(CC2CC2)s1.
What is the InChIKey of 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole?
The InChIKey is YLXFPIWLAWPFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2S/c7-6-9-8-5(10-6)3-4-1-2-4/h4H,1-3H2.
What are the key properties of 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole?
2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole has a molecular weight of 219.11 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(cyclopropylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 63384137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).