4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one

C23H19N3O2S — CID 175645929

IUPAC4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one
SMILESCc1nc2cc(-c3cccc4c(C(=O)N5CCNC(=O)C5)cccc34)ccc2s1
InChIInChI=1S/C23H19N3O2S/c1-14-25-20-12-15(8-9-21(20)29-14)16-4-2-6-18-17(16)5-3-7-19(18)23(28)26-11-10-24-22(27)13-26/h2-9,12H,10-11,13H2,1H3,(H,24,27)
InChIKeyYFRODRYZTANEGN-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.00
Rot. Bonds2

About 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one

4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one (PubChem CID 175645929) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one
PubChem CID175645929
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one
SMILESCc1nc2cc(-c3cccc4c(C(=O)N5CCNC(=O)C5)cccc34)ccc2s1
InChIInChI=1S/C23H19N3O2S/c1-14-25-20-12-15(8-9-21(20)29-14)16-4-2-6-18-17(16)5-3-7-19(18)23(28)26-11-10-24-22(27)13-26/h2-9,12H,10-11,13H2,1H3,(H,24,27)
InChIKeyYFRODRYZTANEGN-UHFFFAOYSA-N
XLogP4.00
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methyl-1,3-benzothiazol-5-yl)-1H-pyridin-2-one
CID 155914094
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784
4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
CID 62898516
4-[2-(2,3,4-trichlorophenyl)quinoline-4-carbonyl]piperazin-2-one
CID 31096259
2-[3-(3-oxopiperazine-1-carbonyl)phenyl]-N-propan-2-ylbenzamide
CID 121495348
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061
4-(3-methyl-2-nitrobenzoyl)piperazin-2-one
CID 31094939
4-(3-amino-7-methyl-1-benzothiophene-2-carbonyl)piperazin-2-one
CID 107112795
4-(2-bromopyridine-3-carbonyl)piperazin-2-one
CID 103753853
4-(4,5-diphenyl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 170715907
4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
4-(quinoline-4-carbonyl)-1,4-diazepan-2-one
CID 78918249

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one (CID 175645929) is 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one is Cc1nc2cc(-c3cccc4c(C(=O)N5CCNC(=O)C5)cccc34)ccc2s1.
What is the InChIKey of 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one?
The InChIKey is YFRODRYZTANEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-14-25-20-12-15(8-9-21(20)29-14)16-4-2-6-18-17(16)5-3-7-19(18)23(28)26-11-10-24-22(27)13-26/h2-9,12H,10-11,13H2,1H3,(H,24,27).
What are the key properties of 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one?
4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one has a molecular weight of 401.49 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methyl-1,3-benzothiazol-5-yl)naphthalene-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 175645929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).