1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine

C13H16ClN3S — CID 82192162

IUPAC1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine
SMILESCc1cc(Cl)cc2sc(N3CCC(N)CC3)nc12
InChIInChI=1S/C13H16ClN3S/c1-8-6-9(14)7-11-12(8)16-13(18-11)17-4-2-10(15)3-5-17/h6-7,10H,2-5,15H2,1H3
InChIKeyWPDDGHSZCICHBN-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.19
Rot. Bonds1

About 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine

1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine (PubChem CID 82192162) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine
PubChem CID82192162
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine
SMILESCc1cc(Cl)cc2sc(N3CCC(N)CC3)nc12
InChIInChI=1S/C13H16ClN3S/c1-8-6-9(14)7-11-12(8)16-13(18-11)17-4-2-10(15)3-5-17/h6-7,10H,2-5,15H2,1H3
InChIKeyWPDDGHSZCICHBN-UHFFFAOYSA-N
XLogP3.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine?
The IUPAC name of 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine (CID 82192162) is 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine is Cc1cc(Cl)cc2sc(N3CCC(N)CC3)nc12.
What is the InChIKey of 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine?
The InChIKey is WPDDGHSZCICHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c1-8-6-9(14)7-11-12(8)16-13(18-11)17-4-2-10(15)3-5-17/h6-7,10H,2-5,15H2,1H3.
What are the key properties of 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine?
1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine has a molecular weight of 281.81 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 82192162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).