6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine

C13H16ClN3S — CID 21241580

IUPAC6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3CCNCC3)sc2c1
InChIInChI=1S/C13H16ClN3S/c14-10-1-2-11-12(7-10)18-13(17-11)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2,(H,16,17)
InChIKeyXBJGHGDUJLURCP-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.36
Rot. Bonds3

About 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine

6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 21241580) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID21241580
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCC3CCNCC3)sc2c1
InChIInChI=1S/C13H16ClN3S/c14-10-1-2-11-12(7-10)18-13(17-11)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2,(H,16,17)
InChIKeyXBJGHGDUJLURCP-UHFFFAOYSA-N
XLogP3.36
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 79528936
6-chloro-N-(cyclobutylmethyl)-1,3-benzothiazol-2-amine
CID 79528767
6-chloro-4-methyl-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 82191751
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
6-chloro-N-(2-cyclobutylethyl)-1,3-benzothiazol-2-amine
CID 113479115
6-chloro-N-(oxolan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 43969130
6-chloro-N-[(1-cyclopropylcyclopropyl)methyl]-1,3-benzothiazol-2-amine
CID 114096567
6-chloro-N-(2,2-dicyclopropylethyl)-1,3-benzothiazol-2-amine
CID 79525165
6-chloro-N-[[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]methyl]-1,3-benzothiazol-2-amine
CID 14048988
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 79528103
6-chloro-N-(2-cyclopropylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 114111762

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine (CID 21241580) is 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine is Clc1ccc2nc(NCC3CCNCC3)sc2c1.
What is the InChIKey of 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is XBJGHGDUJLURCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3S/c14-10-1-2-11-12(7-10)18-13(17-11)16-8-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6,8H2,(H,16,17).
What are the key properties of 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 281.81 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(piperidin-4-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 21241580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).