4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine

C8H13BrN2S — CID 79400126

IUPAC4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC)c1nc(Br)cs1
InChIInChI=1S/C8H13BrN2S/c1-3-5-11(4-2)8-10-7(9)6-12-8/h6H,3-5H2,1-2H3
InChIKeyDJPWJXHFGOIXPS-UHFFFAOYSA-N
MW249.18 g/mol
LogP3.14
Rot. Bonds4

About 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine

4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 79400126) has the molecular formula C8H13BrN2S and a molecular weight of 249.18 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine
PubChem CID79400126
Molecular FormulaC8H13BrN2S
Molecular Weight249.18 g/mol
Exact Mass248.00
IUPAC Name4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(CC)c1nc(Br)cs1
InChIInChI=1S/C8H13BrN2S/c1-3-5-11(4-2)8-10-7(9)6-12-8/h6H,3-5H2,1-2H3
InChIKeyDJPWJXHFGOIXPS-UHFFFAOYSA-N
XLogP3.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-ethyl-N-propyl-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 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine (CID 79400126) is 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine is CCCN(CC)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is DJPWJXHFGOIXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2S/c1-3-5-11(4-2)8-10-7(9)6-12-8/h6H,3-5H2,1-2H3.
What are the key properties of 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine?
4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 249.18 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79400126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).