ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate

C20H23N5O2S — CID 24803563

IUPACethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate
SMILESCCOC(=O)Nc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1
InChIInChI=1S/C20H23N5O2S/c1-3-27-20(26)22-15-5-6-16-17(12-15)28-19(23-16)14-4-7-18(21-13-14)25-10-8-24(2)9-11-25/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,26)
InChIKeyASKSYTGGEXUEBB-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.68
Rot. Bonds4

About ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate

ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate (PubChem CID 24803563) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate
PubChem CID24803563
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Nameethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate
SMILESCCOC(=O)Nc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1
InChIInChI=1S/C20H23N5O2S/c1-3-27-20(26)22-15-5-6-16-17(12-15)28-19(23-16)14-4-7-18(21-13-14)25-10-8-24(2)9-11-25/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,26)
InChIKeyASKSYTGGEXUEBB-UHFFFAOYSA-N
XLogP3.68
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide
CID 174577285
[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl] acetate
CID 67276495
ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;2,2,2-trifluoroacetic acid
CID 67276893
4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
CID 123937349
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
ethyl N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 11500270
ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol
CID 158410308
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(4-methylpiperazin-1-yl)benzamide
CID 11316678
1-[2-[6-(4-ethylpiperidin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]prop-2-en-1-one
CID 143516856
2-(4-hexylpiperazin-1-yl)-1-[4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone
CID 177148864
6-[[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89325861
ethyl N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]carbamate
CID 113014423

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate?
The IUPAC name of ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate (CID 24803563) is ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate?
The canonical SMILES for ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate is CCOC(=O)Nc1ccc2nc(-c3ccc(N4CCN(C)CC4)nc3)sc2c1.
What is the InChIKey of ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate?
The InChIKey is ASKSYTGGEXUEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-3-27-20(26)22-15-5-6-16-17(12-15)28-19(23-16)14-4-7-18(21-13-14)25-10-8-24(2)9-11-25/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,26).
What are the key properties of ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate?
ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate has a molecular weight of 397.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate is sourced from PubChem (CID 24803563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).