4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine

C10H16BrN3S — CID 79398683

IUPAC4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
SMILESBrc1csc(NCCC2CCCNC2)n1
InChIInChI=1S/C10H16BrN3S/c11-9-7-15-10(14-9)13-5-3-8-2-1-4-12-6-8/h7-8,12H,1-6H2,(H,13,14)
InChIKeyPVQPPZNSJVMCCN-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.71
Rot. Bonds4

About 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine

4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine (PubChem CID 79398683) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
PubChem CID79398683
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
SMILESBrc1csc(NCCC2CCCNC2)n1
InChIInChI=1S/C10H16BrN3S/c11-9-7-15-10(14-9)13-5-3-8-2-1-4-12-6-8/h7-8,12H,1-6H2,(H,13,14)
InChIKeyPVQPPZNSJVMCCN-UHFFFAOYSA-N
XLogP2.71
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine (CID 79398683) is 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine is Brc1csc(NCCC2CCCNC2)n1.
What is the InChIKey of 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is PVQPPZNSJVMCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c11-9-7-15-10(14-9)13-5-3-8-2-1-4-12-6-8/h7-8,12H,1-6H2,(H,13,14).
What are the key properties of 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine?
4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 290.23 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79398683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).