5-bromo-4-cyclopropyl-1,3-thiazol-2-amine

C6H7BrN2S — CID 53393779

IUPAC5-bromo-4-cyclopropyl-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Br)s1
InChIInChI=1S/C6H7BrN2S/c7-5-4(3-1-2-3)9-6(8)10-5/h3H,1-2H2,(H2,8,9)
InChIKeyPLQAJBCICVJVSB-UHFFFAOYSA-N
MW219.11 g/mol
LogP2.37
Rot. Bonds1

About 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine

5-bromo-4-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 53393779) has the molecular formula C6H7BrN2S and a molecular weight of 219.11 g/mol. Its IUPAC name is 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-4-cyclopropyl-1,3-thiazol-2-amine
PubChem CID53393779
Molecular FormulaC6H7BrN2S
Molecular Weight219.11 g/mol
Exact Mass217.95
IUPAC Name5-bromo-4-cyclopropyl-1,3-thiazol-2-amine
SMILESNc1nc(C2CC2)c(Br)s1
InChIInChI=1S/C6H7BrN2S/c7-5-4(3-1-2-3)9-6(8)10-5/h3H,1-2H2,(H2,8,9)
InChIKeyPLQAJBCICVJVSB-UHFFFAOYSA-N
XLogP2.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine 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 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine (CID 53393779) is 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine is Nc1nc(C2CC2)c(Br)s1.
What is the InChIKey of 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is PLQAJBCICVJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2S/c7-5-4(3-1-2-3)9-6(8)10-5/h3H,1-2H2,(H2,8,9).
What are the key properties of 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine?
5-bromo-4-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 219.11 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 53393779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).