(5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C19H18ClN3O2S — CID 127046824

IUPAC(5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C19H18ClN3O2S/c1-25-16-5-3-2-4-15(16)22-8-10-23(11-9-22)19(24)18-21-14-12-13(20)6-7-17(14)26-18/h2-7,12H,8-11H2,1H3
InChIKeyZCXYQILJAGUJSC-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.92
Rot. Bonds3

About (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 127046824) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID127046824
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name(5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1
InChIInChI=1S/C19H18ClN3O2S/c1-25-16-5-3-2-4-15(16)22-8-10-23(11-9-22)19(24)18-21-14-12-13(20)6-7-17(14)26-18/h2-7,12H,8-11H2,1H3
InChIKeyZCXYQILJAGUJSC-UHFFFAOYSA-N
XLogP3.92
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 127046824) is (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2nc3cc(Cl)ccc3s2)CC1.
What is the InChIKey of (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ZCXYQILJAGUJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-25-16-5-3-2-4-15(16)22-8-10-23(11-9-22)19(24)18-21-14-12-13(20)6-7-17(14)26-18/h2-7,12H,8-11H2,1H3.
What are the key properties of (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 387.89 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-benzothiazol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 127046824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).