2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline

C15H19BrN4S — CID 62573949

IUPAC2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline
SMILESBrc1ccccc1NCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C15H19BrN4S/c16-13-3-1-2-4-14(13)17-5-7-19-8-10-20(11-9-19)15-18-6-12-21-15/h1-4,6,12,17H,5,7-11H2
InChIKeyBAHMNHKLLBMZLV-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.14
Rot. Bonds5

About 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline

2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline (PubChem CID 62573949) has the molecular formula C15H19BrN4S and a molecular weight of 367.32 g/mol. Its IUPAC name is 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline
PubChem CID62573949
Molecular FormulaC15H19BrN4S
Molecular Weight367.32 g/mol
Exact Mass366.05
IUPAC Name2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline
SMILESBrc1ccccc1NCCN1CCN(c2nccs2)CC1
InChIInChI=1S/C15H19BrN4S/c16-13-3-1-2-4-14(13)17-5-7-19-8-10-20(11-9-19)15-18-6-12-21-15/h1-4,6,12,17H,5,7-11H2
InChIKeyBAHMNHKLLBMZLV-UHFFFAOYSA-N
XLogP3.14
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
N-[2-(azocan-1-yl)ethyl]-2-bromoaniline
CID 55194723
2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
CID 62573951
2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
CID 62573229
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
2-bromo-N-[2-(1,3-dihydroisoindol-2-yl)ethyl]aniline
CID 62560115
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 39507528
2-bromo-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 62574618
2-[4-(2-naphthalen-2-yloxyethyl)piperazin-1-yl]-1,3-thiazole
CID 71897059
2-bromo-N-[2-(3,3,4-trimethylpiperazin-1-yl)ethyl]aniline
CID 63620691
1-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63318325
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 17425103

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline?
The IUPAC name of 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline (CID 62573949) is 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline?
The canonical SMILES for 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline is Brc1ccccc1NCCN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline?
The InChIKey is BAHMNHKLLBMZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4S/c16-13-3-1-2-4-14(13)17-5-7-19-8-10-20(11-9-19)15-18-6-12-21-15/h1-4,6,12,17H,5,7-11H2.
What are the key properties of 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline?
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline has a molecular weight of 367.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]aniline is sourced from PubChem (CID 62573949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).