[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

C20H19N3O3S — CID 46321793

IUPAC[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C20H19N3O3S/c1-26-16-8-4-2-6-14(16)19(24)22-10-12-23(13-11-22)20(25)18-15-7-3-5-9-17(15)27-21-18/h2-9H,10-13H2,1H3
InChIKeyWLNJECMPOOHHTQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.90
Rot. Bonds3

About [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone

[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 46321793) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID46321793
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)c2nsc3ccccc23)CC1
InChIInChI=1S/C20H19N3O3S/c1-26-16-8-4-2-6-14(16)19(24)22-10-12-23(13-11-22)20(25)18-15-7-3-5-9-17(15)27-21-18/h2-9H,10-13H2,1H3
InChIKeyWLNJECMPOOHHTQ-UHFFFAOYSA-N
XLogP2.90
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone (CID 46321793) is [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCN(C(=O)c2nsc3ccccc23)CC1.
What is the InChIKey of [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is WLNJECMPOOHHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-26-16-8-4-2-6-14(16)19(24)22-10-12-23(13-11-22)20(25)18-15-7-3-5-9-17(15)27-21-18/h2-9H,10-13H2,1H3.
What are the key properties of [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone?
[4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 381.46 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 46321793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).