5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one

C10H12N4O3S2 — CID 164872319

IUPAC5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one
SMILESCc1c(S(=O)(=O)n2cc3c(n2)CNC3)sc(=O)n1C
InChIInChI=1S/C10H12N4O3S2/c1-6-9(18-10(15)13(6)2)19(16,17)14-5-7-3-11-4-8(7)12-14/h5,11H,3-4H2,1-2H3
InChIKeyFJZURYXGMIVLKQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP-0.21
Rot. Bonds2

About 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one

5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one (PubChem CID 164872319) has the molecular formula C10H12N4O3S2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one
PubChem CID164872319
Molecular FormulaC10H12N4O3S2
Molecular Weight300.37 g/mol
Exact Mass300.04
IUPAC Name5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one
SMILESCc1c(S(=O)(=O)n2cc3c(n2)CNC3)sc(=O)n1C
InChIInChI=1S/C10H12N4O3S2/c1-6-9(18-10(15)13(6)2)19(16,17)14-5-7-3-11-4-8(7)12-14/h5,11H,3-4H2,1-2H3
InChIKeyFJZURYXGMIVLKQ-UHFFFAOYSA-N
XLogP-0.21
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one (CID 164872319) is 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one is Cc1c(S(=O)(=O)n2cc3c(n2)CNC3)sc(=O)n1C.
What is the InChIKey of 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one?
The InChIKey is FJZURYXGMIVLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S2/c1-6-9(18-10(15)13(6)2)19(16,17)14-5-7-3-11-4-8(7)12-14/h5,11H,3-4H2,1-2H3.
What are the key properties of 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one?
5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one has a molecular weight of 300.37 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-ylsulfonyl)-3,4-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 164872319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).