4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole

C14H18N2O2S — CID 3240141

IUPAC4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole
SMILESCOc1ccc(OC)c2sc(N3CCCCC3)nc12
InChIInChI=1S/C14H18N2O2S/c1-17-10-6-7-11(18-2)13-12(10)15-14(19-13)16-8-4-3-5-9-16/h6-7H,3-5,8-9H2,1-2H3
InChIKeyIXEVSIFLVVRMPM-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.30
Rot. Bonds3

About 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole

4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole (PubChem CID 3240141) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole
PubChem CID3240141
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole
SMILESCOc1ccc(OC)c2sc(N3CCCCC3)nc12
InChIInChI=1S/C14H18N2O2S/c1-17-10-6-7-11(18-2)13-12(10)15-14(19-13)16-8-4-3-5-9-16/h6-7H,3-5,8-9H2,1-2H3
InChIKeyIXEVSIFLVVRMPM-UHFFFAOYSA-N
XLogP3.30
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole?
The IUPAC name of 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole (CID 3240141) is 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole?
The canonical SMILES for 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole is COc1ccc(OC)c2sc(N3CCCCC3)nc12.
What is the InChIKey of 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole?
The InChIKey is IXEVSIFLVVRMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-17-10-6-7-11(18-2)13-12(10)15-14(19-13)16-8-4-3-5-9-16/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole?
4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole has a molecular weight of 278.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-2-piperidin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 3240141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).