5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one

C19H20N4O3S2 — CID 164872215

IUPAC5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one
SMILESCc1c(Sn2cc3c(n2)CN(C(=O)C(CO)c2ccccc2)C3)sc(=O)n1C
InChIInChI=1S/C19H20N4O3S2/c1-12-18(27-19(26)21(12)2)28-23-9-14-8-22(10-16(14)20-23)17(25)15(11-24)13-6-4-3-5-7-13/h3-7,9,15,24H,8,10-11H2,1-2H3
InChIKeyXBJIQHZANTZBSY-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.13
Rot. Bonds5

About 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one

5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one (PubChem CID 164872215) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one
PubChem CID164872215
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one
SMILESCc1c(Sn2cc3c(n2)CN(C(=O)C(CO)c2ccccc2)C3)sc(=O)n1C
InChIInChI=1S/C19H20N4O3S2/c1-12-18(27-19(26)21(12)2)28-23-9-14-8-22(10-16(14)20-23)17(25)15(11-24)13-6-4-3-5-7-13/h3-7,9,15,24H,8,10-11H2,1-2H3
InChIKeyXBJIQHZANTZBSY-UHFFFAOYSA-N
XLogP2.13
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-1-[2-[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-hydroxypropan-1-one
CID 164872073
3-hydroxy-1-[2-(1-methylindazol-6-yl)sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-phenylpropan-1-one
CID 166772726
1-[2-(1,3-benzothiazol-6-ylsulfanyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-hydroxy-2-phenylethanone
CID 156875771
2-(2-chlorophenyl)-1-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-hydroxypropan-1-one
CID 164872197
(2S)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylbutan-1-one
CID 97354955
2-(2-chlorophenyl)-1-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfanyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-hydroxypropan-1-one
CID 166782767
(2S)-3-hydroxy-2-phenyl-1-[2-[5-(3,3,3-trifluoropropyl)thiophen-2-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]propan-1-one;2-[5-(3,3,3-trifluoropropyl)thiophen-2-yl]sulfonyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 167588258
2-amino-1-[2-(1,3-benzothiazol-6-ylsulfanyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-chlorophenyl)ethanone
CID 156875787
(2R)-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-phenylpropan-1-one
CID 138005206
(2S)-2-(2-chlorophenyl)-3-hydroxy-1-[2-[(3E)-penta-1,3-dien-3-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]propan-1-one
CID 164872214
(2R)-1-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-phenylbutan-1-one
CID 95226511
1-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-phenylethanone
CID 164872116

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one (CID 164872215) is 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one is Cc1c(Sn2cc3c(n2)CN(C(=O)C(CO)c2ccccc2)C3)sc(=O)n1C.
What is the InChIKey of 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one?
The InChIKey is XBJIQHZANTZBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-12-18(27-19(26)21(12)2)28-23-9-14-8-22(10-16(14)20-23)17(25)15(11-24)13-6-4-3-5-7-13/h3-7,9,15,24H,8,10-11H2,1-2H3.
What are the key properties of 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one?
5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one has a molecular weight of 416.53 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(3-hydroxy-2-phenylpropanoyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]sulfanyl]-3,4-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 164872215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).