2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine

C16H15ClN4S — CID 3638855

IUPAC2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1ccc(N2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C16H15ClN4S/c17-12-3-5-13(6-4-12)20-8-10-21(11-9-20)16-19-14-2-1-7-18-15(14)22-16/h1-7H,8-11H2
InChIKeyCOVKSFOBJFKGPQ-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.67
Rot. Bonds2

About 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine

2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 3638855) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID3638855
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC Name2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1ccc(N2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C16H15ClN4S/c17-12-3-5-13(6-4-12)20-8-10-21(11-9-20)16-19-14-2-1-7-18-15(14)22-16/h1-7H,8-11H2
InChIKeyCOVKSFOBJFKGPQ-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine (CID 3638855) is 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine is Clc1ccc(N2CCN(c3nc4cccnc4s3)CC2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is COVKSFOBJFKGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c17-12-3-5-13(6-4-12)20-8-10-21(11-9-20)16-19-14-2-1-7-18-15(14)22-16/h1-7H,8-11H2.
What are the key properties of 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 330.84 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 3638855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).