2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one

C19H21N5OS — CID 171690713

IUPAC2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one
SMILESCc1cccc2sc(N3CC4CN(c5ccc(=O)n(C)n5)CC4C3)nc12
InChIInChI=1S/C19H21N5OS/c1-12-4-3-5-15-18(12)20-19(26-15)24-10-13-8-23(9-14(13)11-24)16-6-7-17(25)22(2)21-16/h3-7,13-14H,8-11H2,1-2H3
InChIKeyDTBVUFAWBPJDJD-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.27
Rot. Bonds2

About 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one

2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one (PubChem CID 171690713) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one
PubChem CID171690713
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one
SMILESCc1cccc2sc(N3CC4CN(c5ccc(=O)n(C)n5)CC4C3)nc12
InChIInChI=1S/C19H21N5OS/c1-12-4-3-5-15-18(12)20-19(26-15)24-10-13-8-23(9-14(13)11-24)16-6-7-17(25)22(2)21-16/h3-7,13-14H,8-11H2,1-2H3
InChIKeyDTBVUFAWBPJDJD-UHFFFAOYSA-N
XLogP2.27
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one 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 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one (CID 171690713) is 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one is Cc1cccc2sc(N3CC4CN(c5ccc(=O)n(C)n5)CC4C3)nc12.
What is the InChIKey of 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one?
The InChIKey is DTBVUFAWBPJDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-4-3-5-15-18(12)20-19(26-15)24-10-13-8-23(9-14(13)11-24)16-6-7-17(25)22(2)21-16/h3-7,13-14H,8-11H2,1-2H3.
What are the key properties of 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one?
2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one has a molecular weight of 367.48 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[5-(4-methyl-1,3-benzothiazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridazin-3-one is sourced from PubChem (CID 171690713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).