[1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C20H24BrN3OS — CID 55685500

IUPAC[1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)C3(c4ccc(Br)cc4)CCC3)CC2)cs1
InChIInChI=1S/C20H24BrN3OS/c1-15-22-18(14-26-15)13-23-9-11-24(12-10-23)19(25)20(7-2-8-20)16-3-5-17(21)6-4-16/h3-6,14H,2,7-13H2,1H3
InChIKeyRDRZMZNSPHPISL-UHFFFAOYSA-N
MW434.40 g/mol
LogP3.98
Rot. Bonds4

About [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

[1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 55685500) has the molecular formula C20H24BrN3OS and a molecular weight of 434.40 g/mol. Its IUPAC name is [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID55685500
Molecular FormulaC20H24BrN3OS
Molecular Weight434.40 g/mol
Exact Mass433.08
IUPAC Name[1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(CN2CCN(C(=O)C3(c4ccc(Br)cc4)CCC3)CC2)cs1
InChIInChI=1S/C20H24BrN3OS/c1-15-22-18(14-26-15)13-23-9-11-24(12-10-23)19(25)20(7-2-8-20)16-3-5-17(21)6-4-16/h3-6,14H,2,7-13H2,1H3
InChIKeyRDRZMZNSPHPISL-UHFFFAOYSA-N
XLogP3.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 63143419
[1-(4-bromophenyl)cyclopropyl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 134026118
[1-(4-bromophenyl)cyclobutyl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 56572001
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119399484
2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 111331762
3-[5-(4-bromophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 58415440
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 61265442
methyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenylpiperidine-4-carboxylate
CID 75421629
1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032
7-bicyclo[4.1.0]heptanyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46972591
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470789

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 55685500) is [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is Cc1nc(CN2CCN(C(=O)C3(c4ccc(Br)cc4)CCC3)CC2)cs1.
What is the InChIKey of [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is RDRZMZNSPHPISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3OS/c1-15-22-18(14-26-15)13-23-9-11-24(12-10-23)19(25)20(7-2-8-20)16-3-5-17(21)6-4-16/h3-6,14H,2,7-13H2,1H3.
What are the key properties of [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
[1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 434.40 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)cyclobutyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55685500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).