2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole

C14H19N3OS — CID 16849815

IUPAC2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
SMILESCCN1CCN(c2nc3c(OC)cccc3s2)CC1
InChIInChI=1S/C14H19N3OS/c1-3-16-7-9-17(10-8-16)14-15-13-11(18-2)5-4-6-12(13)19-14/h4-6H,3,7-10H2,1-2H3
InChIKeyZWVCERKGQTWNFF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole

2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole (PubChem CID 16849815) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
PubChem CID16849815
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole
SMILESCCN1CCN(c2nc3c(OC)cccc3s2)CC1
InChIInChI=1S/C14H19N3OS/c1-3-16-7-9-17(10-8-16)14-15-13-11(18-2)5-4-6-12(13)19-14/h4-6H,3,7-10H2,1-2H3
InChIKeyZWVCERKGQTWNFF-UHFFFAOYSA-N
XLogP2.45
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 155799116
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941369
cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539384
N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 44896729
3-methoxy-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 44896763
5-bromo-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 44896689
2,5-dichloro-N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 44896713
(2-ethylsulfonylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41028536
(2-ethylsulfanylphenyl)-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7578587
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-6-methoxy-1,3-benzothiazole
CID 16941357
N-[2-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]-2,5-dimethylbenzamide
CID 44896769
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903478

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole (CID 16849815) is 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole is CCN1CCN(c2nc3c(OC)cccc3s2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole?
The InChIKey is ZWVCERKGQTWNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-16-7-9-17(10-8-16)14-15-13-11(18-2)5-4-6-12(13)19-14/h4-6H,3,7-10H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole?
2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole has a molecular weight of 277.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-methoxy-1,3-benzothiazole is sourced from PubChem (CID 16849815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).