[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone

C16H16BrN5OS — CID 43983029

IUPAC[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1
InChIInChI=1S/C16H16BrN5OS/c1-20-5-4-18-14(20)15(23)21-6-8-22(9-7-21)16-19-12-3-2-11(17)10-13(12)24-16/h2-5,10H,6-9H2,1H3
InChIKeyKCSGBCKXJCRSHG-UHFFFAOYSA-N
MW406.31 g/mol
LogP2.75
Rot. Bonds2

About [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone

[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 43983029) has the molecular formula C16H16BrN5OS and a molecular weight of 406.31 g/mol. Its IUPAC name is [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID43983029
Molecular FormulaC16H16BrN5OS
Molecular Weight406.31 g/mol
Exact Mass405.03
IUPAC Name[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1
InChIInChI=1S/C16H16BrN5OS/c1-20-5-4-18-14(20)15(23)21-6-8-22(9-7-21)16-19-12-3-2-11(17)10-13(12)24-16/h2-5,10H,6-9H2,1H3
InChIKeyKCSGBCKXJCRSHG-UHFFFAOYSA-N
XLogP2.75
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 18587315
[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 43983197
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 43983010
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 41115533
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfanylphenyl)methanone
CID 41044530
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 43983016
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 43981732
(3-bromophenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 25319983
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(5-chloro-2-nitrophenyl)methanone
CID 41115595
potassium;N-[2-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]pyridine-2-sulfonamide;hydride
CID 173307673
(2,5-dimethylpyrazol-3-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16952865
1-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-chlorophenyl)sulfanylethanone
CID 41115671

Frequently Asked Questions

What is the IUPAC name of [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone (CID 43983029) is [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCN(c2nc3ccc(Br)cc3s2)CC1.
What is the InChIKey of [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is KCSGBCKXJCRSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5OS/c1-20-5-4-18-14(20)15(23)21-6-8-22(9-7-21)16-19-12-3-2-11(17)10-13(12)24-16/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone?
[4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 406.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 43983029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).