4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine

C10H16BrN3S — CID 79400249

IUPAC4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCCCC1CNc1nc(Br)cs1
InChIInChI=1S/C10H16BrN3S/c1-14-5-3-2-4-8(14)6-12-10-13-9(11)7-15-10/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyARSUTYMBXBIAAL-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.80
Rot. Bonds3

About 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine

4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79400249) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79400249
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCN1CCCCC1CNc1nc(Br)cs1
InChIInChI=1S/C10H16BrN3S/c1-14-5-3-2-4-8(14)6-12-10-13-9(11)7-15-10/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyARSUTYMBXBIAAL-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-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-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine (CID 79400249) is 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine is CN1CCCCC1CNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is ARSUTYMBXBIAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-14-5-3-2-4-8(14)6-12-10-13-9(11)7-15-10/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine?
4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 290.23 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79400249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).