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

C16H15ClN4S — CID 122172037

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1cccc(N2CCN(c3nc4cccnc4s3)CC2)c1
InChIInChI=1S/C16H15ClN4S/c17-12-3-1-4-13(11-12)20-7-9-21(10-8-20)16-19-14-5-2-6-18-15(14)22-16/h1-6,11H,7-10H2
InChIKeyGIUAMBCNLOIRDO-UHFFFAOYSA-N
MW330.84 g/mol
LogP3.67
Rot. Bonds2

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 122172037) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
PubChem CID122172037
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
SMILESClc1cccc(N2CCN(c3nc4cccnc4s3)CC2)c1
InChIInChI=1S/C16H15ClN4S/c17-12-3-1-4-13(11-12)20-7-9-21(10-8-20)16-19-14-5-2-6-18-15(14)22-16/h1-6,11H,7-10H2
InChIKeyGIUAMBCNLOIRDO-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-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine (CID 122172037) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine is Clc1cccc(N2CCN(c3nc4cccnc4s3)CC2)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is GIUAMBCNLOIRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c17-12-3-1-4-13(11-12)20-7-9-21(10-8-20)16-19-14-5-2-6-18-15(14)22-16/h1-6,11H,7-10H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine?
2-[4-(3-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-(3-chlorophenyl)piperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 122172037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).