6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole

C18H14N4S — CID 10064476

IUPAC6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole
SMILESc1ccc(-c2nn3c(c2-c2ccc4ncsc4c2)CCC3)nc1
InChIInChI=1S/C18H14N4S/c1-2-8-19-14(4-1)18-17(15-5-3-9-22(15)21-18)12-6-7-13-16(10-12)23-11-20-13/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyVLZCBVMFXSHICT-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.17
Rot. Bonds2

About 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole

6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole (PubChem CID 10064476) has the molecular formula C18H14N4S and a molecular weight of 318.40 g/mol. Its IUPAC name is 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole
PubChem CID10064476
Molecular FormulaC18H14N4S
Molecular Weight318.40 g/mol
Exact Mass318.09
IUPAC Name6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole
SMILESc1ccc(-c2nn3c(c2-c2ccc4ncsc4c2)CCC3)nc1
InChIInChI=1S/C18H14N4S/c1-2-8-19-14(4-1)18-17(15-5-3-9-22(15)21-18)12-6-7-13-16(10-12)23-11-20-13/h1-2,4,6-8,10-11H,3,5,9H2
InChIKeyVLZCBVMFXSHICT-UHFFFAOYSA-N
XLogP4.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
The IUPAC name of 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole (CID 10064476) is 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
The canonical SMILES for 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole is c1ccc(-c2nn3c(c2-c2ccc4ncsc4c2)CCC3)nc1.
What is the InChIKey of 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
The InChIKey is VLZCBVMFXSHICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-8-19-14(4-1)18-17(15-5-3-9-22(15)21-18)12-6-7-13-16(10-12)23-11-20-13/h1-2,4,6-8,10-11H,3,5,9H2.
What are the key properties of 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole has a molecular weight of 318.40 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 10064476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).