1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone

C18H17N3OS — CID 2496275

IUPAC1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H17N3OS/c22-18(14-6-7-16-17(12-14)23-13-19-16)21-10-8-20(9-11-21)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2
InChIKeySRNHDWFIUJYEDI-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.26
Rot. Bonds2

About 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone

1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 2496275) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID2496275
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H17N3OS/c22-18(14-6-7-16-17(12-14)23-13-19-16)21-10-8-20(9-11-21)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2
InChIKeySRNHDWFIUJYEDI-UHFFFAOYSA-N
XLogP3.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-(1,3-benzothiazol-6-yl)methanone
CID 9337184
1,3-benzothiazol-6-yl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 2102399
[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 93486177
[3-(1,3-benzothiazol-6-ylamino)quinoxalin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 101412826
1-(1,3-benzothiazole-6-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123521
1,3-benzothiazol-6-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337201
1,3-benzothiazol-6-yl-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538890
1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
(3R)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid
CID 81118458
1,3-benzothiazol-6-yl(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 74237717
7-[4-(1,3-benzothiazole-6-carbonyl)piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898525
1,3-benzothiazol-6-yl-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90507729

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone (CID 2496275) is 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone is O=C(c1ccc2ncsc2c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SRNHDWFIUJYEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-18(14-6-7-16-17(12-14)23-13-19-16)21-10-8-20(9-11-21)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2.
What are the key properties of 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone?
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 323.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 2496275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).