2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine

C15H19BrN4S — CID 63783031

IUPAC2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H19BrN4S/c16-13-2-1-12(3-4-17)14(11-13)19-6-8-20(9-7-19)15-18-5-10-21-15/h1-2,5,10-11H,3-4,6-9,17H2
InChIKeySNCWLOCTKCCWNR-UHFFFAOYSA-N
MW367.32 g/mol
LogP2.73
Rot. Bonds4

About 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine

2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine (PubChem CID 63783031) has the molecular formula C15H19BrN4S and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
PubChem CID63783031
Molecular FormulaC15H19BrN4S
Molecular Weight367.32 g/mol
Exact Mass366.05
IUPAC Name2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine
SMILESNCCc1ccc(Br)cc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H19BrN4S/c16-13-2-1-12(3-4-17)14(11-13)19-6-8-20(9-7-19)15-18-5-10-21-15/h1-2,5,10-11H,3-4,6-9,17H2
InChIKeySNCWLOCTKCCWNR-UHFFFAOYSA-N
XLogP2.73
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine (CID 63783031) is 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine is NCCc1ccc(Br)cc1N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
The InChIKey is SNCWLOCTKCCWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4S/c16-13-2-1-12(3-4-17)14(11-13)19-6-8-20(9-7-19)15-18-5-10-21-15/h1-2,5,10-11H,3-4,6-9,17H2.
What are the key properties of 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine?
2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine has a molecular weight of 367.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 63783031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).