6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole

C19H21ClN4S — CID 164938009

IUPAC6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole
SMILESClc1ccc2nc(CCCN3CCN(c4ccccn4)CC3)sc2c1
InChIInChI=1S/C19H21ClN4S/c20-15-6-7-16-17(14-15)25-19(22-16)5-3-9-23-10-12-24(13-11-23)18-4-1-2-8-21-18/h1-2,4,6-8,14H,3,5,9-13H2
InChIKeyKPPBABWZQDMBQM-UHFFFAOYSA-N
MW372.93 g/mol
LogP4.10
Rot. Bonds5

About 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole

6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole (PubChem CID 164938009) has the molecular formula C19H21ClN4S and a molecular weight of 372.93 g/mol. Its IUPAC name is 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole
PubChem CID164938009
Molecular FormulaC19H21ClN4S
Molecular Weight372.93 g/mol
Exact Mass372.12
IUPAC Name6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole
SMILESClc1ccc2nc(CCCN3CCN(c4ccccn4)CC3)sc2c1
InChIInChI=1S/C19H21ClN4S/c20-15-6-7-16-17(14-15)25-19(22-16)5-3-9-23-10-12-24(13-11-23)18-4-1-2-8-21-18/h1-2,4,6-8,14H,3,5,9-13H2
InChIKeyKPPBABWZQDMBQM-UHFFFAOYSA-N
XLogP4.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.93
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole (CID 164938009) is 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole is Clc1ccc2nc(CCCN3CCN(c4ccccn4)CC3)sc2c1.
What is the InChIKey of 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole?
The InChIKey is KPPBABWZQDMBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4S/c20-15-6-7-16-17(14-15)25-19(22-16)5-3-9-23-10-12-24(13-11-23)18-4-1-2-8-21-18/h1-2,4,6-8,14H,3,5,9-13H2.
What are the key properties of 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole?
6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole has a molecular weight of 372.93 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-benzothiazole is sourced from PubChem (CID 164938009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).