3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine

C13H17N3S — CID 14576036

IUPAC3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine
SMILESCn1/c(=N/C2CCNCC2)sc2ccccc21
InChIInChI=1S/C13H17N3S/c1-16-11-4-2-3-5-12(11)17-13(16)15-10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3/b15-13-
InChIKeyCJGBNOQQQNNIIK-SQFISAMPSA-N
MW247.37 g/mol
LogP1.89
Rot. Bonds1

About 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine

3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine (PubChem CID 14576036) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine
PubChem CID14576036
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine
SMILESCn1/c(=N/C2CCNCC2)sc2ccccc21
InChIInChI=1S/C13H17N3S/c1-16-11-4-2-3-5-12(11)17-13(16)15-10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3/b15-13-
InChIKeyCJGBNOQQQNNIIK-SQFISAMPSA-N
XLogP1.89
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine?
The IUPAC name of 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine (CID 14576036) is 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine.
What is the SMILES notation for 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine?
The canonical SMILES for 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine is Cn1/c(=N/C2CCNCC2)sc2ccccc21.
What is the InChIKey of 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine?
The InChIKey is CJGBNOQQQNNIIK-SQFISAMPSA-N. The full InChI is InChI=1S/C13H17N3S/c1-16-11-4-2-3-5-12(11)17-13(16)15-10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3/b15-13-.
What are the key properties of 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine?
3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine has a molecular weight of 247.37 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-imine is sourced from PubChem (CID 14576036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).