3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide

C16H18N4O3S — CID 75401983

IUPAC3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
SMILESCc1cc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)no1
InChIInChI=1S/C16H18N4O3S/c1-12-10-13(17-23-12)11-19-6-8-20(9-7-19)16-14-4-2-3-5-15(14)24(21,22)18-16/h2-5,10H,6-9,11H2,1H3
InChIKeyNNDIUIFFPHRXPG-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.25
Rot. Bonds2

About 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide

3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide (PubChem CID 75401983) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
PubChem CID75401983
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide
SMILESCc1cc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)no1
InChIInChI=1S/C16H18N4O3S/c1-12-10-13(17-23-12)11-19-6-8-20(9-7-19)16-14-4-2-3-5-15(14)24(21,22)18-16/h2-5,10H,6-9,11H2,1H3
InChIKeyNNDIUIFFPHRXPG-UHFFFAOYSA-N
XLogP1.25
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide (CID 75401983) is 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide is Cc1cc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)no1.
What is the InChIKey of 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide?
The InChIKey is NNDIUIFFPHRXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-12-10-13(17-23-12)11-19-6-8-20(9-7-19)16-14-4-2-3-5-15(14)24(21,22)18-16/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide?
3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide has a molecular weight of 346.41 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 75401983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).