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

C18H14N4S — CID 10448587

IUPAC2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole
SMILESc1ccc(-c2nn3c(c2-c2nc4ccccc4s2)CCC3)nc1
InChIInChI=1S/C18H14N4S/c1-2-9-15-12(6-1)20-18(23-15)16-14-8-5-11-22(14)21-17(16)13-7-3-4-10-19-13/h1-4,6-7,9-10H,5,8,11H2
InChIKeyVGDUXICOIOWVMN-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.17
Rot. Bonds2

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

2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole (PubChem CID 10448587) has the molecular formula C18H14N4S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole
PubChem CID10448587
Molecular FormulaC18H14N4S
Molecular Weight318.40 g/mol
Exact Mass318.09
IUPAC Name2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole
SMILESc1ccc(-c2nn3c(c2-c2nc4ccccc4s2)CCC3)nc1
InChIInChI=1S/C18H14N4S/c1-2-9-15-12(6-1)20-18(23-15)16-14-8-5-11-22(14)21-17(16)13-7-3-4-10-19-13/h1-4,6-7,9-10H,5,8,11H2
InChIKeyVGDUXICOIOWVMN-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole (CID 10448587) is 2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole is c1ccc(-c2nn3c(c2-c2nc4ccccc4s2)CCC3)nc1.
What is the InChIKey of 2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
The InChIKey is VGDUXICOIOWVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-2-9-15-12(6-1)20-18(23-15)16-14-8-5-11-22(14)21-17(16)13-7-3-4-10-19-13/h1-4,6-7,9-10H,5,8,11H2.
What are the key properties of 2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
2-(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 2-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 10448587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).