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

C19H16N4S — CID 10471962

IUPAC2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole
SMILESCc1nc2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc2s1
InChIInChI=1S/C19H16N4S/c1-12-21-15-11-13(7-8-17(15)24-12)18-16-6-4-10-23(16)22-19(18)14-5-2-3-9-20-14/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyOERHHVDIMSPLKW-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.48
Rot. Bonds2

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

2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole (PubChem CID 10471962) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole
PubChem CID10471962
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC Name2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole
SMILESCc1nc2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc2s1
InChIInChI=1S/C19H16N4S/c1-12-21-15-11-13(7-8-17(15)24-12)18-16-6-4-10-23(16)22-19(18)14-5-2-3-9-20-14/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyOERHHVDIMSPLKW-UHFFFAOYSA-N
XLogP4.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole (CID 10471962) is 2-methyl-5-(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-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole is Cc1nc2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc2s1.
What is the InChIKey of 2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
The InChIKey is OERHHVDIMSPLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-12-21-15-11-13(7-8-17(15)24-12)18-16-6-4-10-23(16)22-19(18)14-5-2-3-9-20-14/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of 2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole?
2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole has a molecular weight of 332.43 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 10471962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).