2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole

C19H11ClN4S — CID 1214678

IUPAC2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole
SMILESClc1ccc(-c2cc3nccc(-c4nc5ccccc5s4)n3n2)cc1
InChIInChI=1S/C19H11ClN4S/c20-13-7-5-12(6-8-13)15-11-18-21-10-9-16(24(18)23-15)19-22-14-3-1-2-4-17(14)25-19/h1-11H
InChIKeyPPCNZLJAZOYBNO-UHFFFAOYSA-N
MW362.85 g/mol
LogP5.33
Rot. Bonds2

About 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole

2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole (PubChem CID 1214678) has the molecular formula C19H11ClN4S and a molecular weight of 362.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole
PubChem CID1214678
Molecular FormulaC19H11ClN4S
Molecular Weight362.85 g/mol
Exact Mass362.04
IUPAC Name2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole
SMILESClc1ccc(-c2cc3nccc(-c4nc5ccccc5s4)n3n2)cc1
InChIInChI=1S/C19H11ClN4S/c20-13-7-5-12(6-8-13)15-11-18-21-10-9-16(24(18)23-15)19-22-14-3-1-2-4-17(14)25-19/h1-11H
InChIKeyPPCNZLJAZOYBNO-UHFFFAOYSA-N
XLogP5.33
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.85
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole?
The IUPAC name of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole (CID 1214678) is 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole is Clc1ccc(-c2cc3nccc(-c4nc5ccccc5s4)n3n2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole?
The InChIKey is PPCNZLJAZOYBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4S/c20-13-7-5-12(6-8-13)15-11-18-21-10-9-16(24(18)23-15)19-22-14-3-1-2-4-17(14)25-19/h1-11H.
What are the key properties of 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole?
2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole has a molecular weight of 362.85 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3-benzothiazole is sourced from PubChem (CID 1214678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).