1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone

C23H25N3OS — CID 155161645

IUPAC1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone
SMILESCC1CN(c2nc3ccccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C23H25N3OS/c1-16-15-25(23-24-20-4-2-3-5-21(20)28-23)12-13-26(16)22(27)14-17-6-8-18(9-7-17)19-10-11-19/h2-9,16,19H,10-15H2,1H3
InChIKeySWQOCPNZIYOTRP-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.45
Rot. Bonds4

About 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone

1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone (PubChem CID 155161645) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone
PubChem CID155161645
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone
SMILESCC1CN(c2nc3ccccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1
InChIInChI=1S/C23H25N3OS/c1-16-15-25(23-24-20-4-2-3-5-21(20)28-23)12-13-26(16)22(27)14-17-6-8-18(9-7-17)19-10-11-19/h2-9,16,19H,10-15H2,1H3
InChIKeySWQOCPNZIYOTRP-UHFFFAOYSA-N
XLogP4.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone with MolForge

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Related Compounds

2-(4-cyclopropylphenyl)-1-[2-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 165093324
tert-butyl (2S)-4-(1,3-benzothiazol-2-yl)-2-methylpiperazine-1-carboxylate
CID 97177045
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone;1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethanone;1-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;2-(4-cyclopropylphenyl)-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;2-[4-(dimethylamino)phenyl]-1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone;1-[4-(4-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 164951191
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755
N-[4-[2-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfinamide
CID 155161735
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl] acetate
CID 90606752
1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7136377
2-(4-cyclopropylphenyl)-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]ethanone
CID 155161689
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl] 2-(4-propan-2-ylsulfonylphenyl)acetate
CID 71796045
2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634
2-amino-1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
CID 24760998
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone (CID 155161645) is 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone is CC1CN(c2nc3ccccc3s2)CCN1C(=O)Cc1ccc(C2CC2)cc1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone?
The InChIKey is SWQOCPNZIYOTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-16-15-25(23-24-20-4-2-3-5-21(20)28-23)12-13-26(16)22(27)14-17-6-8-18(9-7-17)19-10-11-19/h2-9,16,19H,10-15H2,1H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone?
1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone has a molecular weight of 391.54 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethanone is sourced from PubChem (CID 155161645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).