7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C21H19N5O3S — CID 44818999

IUPAC7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nc5ccccc5s4)CC3)nc21
InChIInChI=1S/C21H19N5O3S/c1-24-12-14(20(28)29)18(27)13-6-7-17(23-19(13)24)25-8-10-26(11-9-25)21-22-15-4-2-3-5-16(15)30-21/h2-7,12H,8-11H2,1H3,(H,28,29)
InChIKeyUZGXZCHEEBERME-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.57
Rot. Bonds3

About 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 44818999) has the molecular formula C21H19N5O3S and a molecular weight of 421.48 g/mol. Its IUPAC name is 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID44818999
Molecular FormulaC21H19N5O3S
Molecular Weight421.48 g/mol
Exact Mass421.12
IUPAC Name7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nc5ccccc5s4)CC3)nc21
InChIInChI=1S/C21H19N5O3S/c1-24-12-14(20(28)29)18(27)13-6-7-17(23-19(13)24)25-8-10-26(11-9-25)21-22-15-4-2-3-5-16(15)30-21/h2-7,12H,8-11H2,1H3,(H,28,29)
InChIKeyUZGXZCHEEBERME-UHFFFAOYSA-N
XLogP2.57
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid 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

6-Amino-7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-tert-butyl-4-oxo-quinoline-3-carboxylic acid
CID 49776907
3-Quinolinecarboxylic acid, 6-amino-7-[4-(2-benzothiazolyl)-1-piperazinyl]-1-cyclopropyl-1,4-dihydro-4-oxo-
CID 3012851
4-[[5-[6-(Dimethylamino)-3-pyridinyl]-2-pyridinyl]methyl]-7-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 46886023
Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-benzyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90682790
Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[(3-chloro-2-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90683450
3-(1,3-Benzothiazol-2-yl)-1-ethyl-6-fluoro-7-piperazin-1-yl-1,8-naphthyridin-4-one
CID 44255209
7-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-quinoline-3-carboxylic acid
CID 16202232
Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[(2-fluorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90682788
Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[(3-chlorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90682789
Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-[(4-chlorophenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 90682791
Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 90682793
Ethyl 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-4-oxo-1-(2-pyridin-2-ylethyl)-1,8-naphthyridine-3-carboxylate
CID 90682814

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 44818999) is 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cn1cc(C(=O)O)c(=O)c2ccc(N3CCN(c4nc5ccccc5s4)CC3)nc21.
What is the InChIKey of 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is UZGXZCHEEBERME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S/c1-24-12-14(20(28)29)18(27)13-6-7-17(23-19(13)24)25-8-10-26(11-9-25)21-22-15-4-2-3-5-16(15)30-21/h2-7,12H,8-11H2,1H3,(H,28,29).
What are the key properties of 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 421.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 44818999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).