[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone

C24H23N3OS — CID 7539984

IUPAC[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc(C)c2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc12
InChIInChI=1S/C24H23N3OS/c1-16-10-11-17(2)22-21(16)25-24(29-22)27-14-12-26(13-15-27)23(28)20-9-5-7-18-6-3-4-8-19(18)20/h3-11H,12-15H2,1-2H3
InChIKeyKWFYLNDDRLZHPI-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.03
Rot. Bonds2

About [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone

[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 7539984) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID7539984
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
SMILESCc1ccc(C)c2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc12
InChIInChI=1S/C24H23N3OS/c1-16-10-11-17(2)22-21(16)25-24(29-22)27-14-12-26(13-15-27)23(28)20-9-5-7-18-6-3-4-8-19(18)20/h3-11H,12-15H2,1-2H3
InChIKeyKWFYLNDDRLZHPI-UHFFFAOYSA-N
XLogP5.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539889
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 7539539
(2-iodophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41116780
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 41028400
[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethylsulfonylphenyl)methanone
CID 42524635
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 41116855
[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone
CID 7540355
[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 41027410
(3,4-diethoxyphenyl)-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982695
3-[4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]chromen-2-one
CID 41116826
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 91624333

Frequently Asked Questions

What is the IUPAC name of [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone (CID 7539984) is [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone is Cc1ccc(C)c2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc12.
What is the InChIKey of [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is KWFYLNDDRLZHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-16-10-11-17(2)22-21(16)25-24(29-22)27-14-12-26(13-15-27)23(28)20-9-5-7-18-6-3-4-8-19(18)20/h3-11H,12-15H2,1-2H3.
What are the key properties of [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone?
[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 401.54 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 7539984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).