1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

C18H20N6O3S — CID 126948655

IUPAC1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CCN(C4=NS(=O)(=O)c5ccccc54)C3)c2)C1=O
InChIInChI=1S/C18H20N6O3S/c1-21-8-9-23(18(21)25)14-10-19-24(12-14)13-6-7-22(11-13)17-15-4-2-3-5-16(15)28(26,27)20-17/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyFQCHPFJZXUJOAG-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.15
Rot. Bonds2

About 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (PubChem CID 126948655) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
PubChem CID126948655
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CCN(C4=NS(=O)(=O)c5ccccc54)C3)c2)C1=O
InChIInChI=1S/C18H20N6O3S/c1-21-8-9-23(18(21)25)14-10-19-24(12-14)13-6-7-22(11-13)17-15-4-2-3-5-16(15)28(26,27)20-17/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyFQCHPFJZXUJOAG-UHFFFAOYSA-N
XLogP1.15
TPSA91.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-[1-[1-(5-methylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948796
1-[1-[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948670
1-methyl-3-[1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948672
3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2-benzothiazole 1,1-dioxide
CID 133328771
1-[1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948793
1-methyl-3-[1-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948789
1-[1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126948677
1-methyl-3-[1-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948852
1-cyclopropyl-3-[3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]pyrrolidin-1-yl]pyrazin-2-one
CID 126948834
1-methyl-3-[1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948649
1-[1-(1-cyclohexylazetidin-3-yl)pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946060
1-methyl-3-[1-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126948640

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (CID 126948655) is 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is CN1CCN(c2cnn(C3CCN(C4=NS(=O)(=O)c5ccccc54)C3)c2)C1=O.
What is the InChIKey of 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is FQCHPFJZXUJOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-21-8-9-23(18(21)25)14-10-19-24(12-14)13-6-7-22(11-13)17-15-4-2-3-5-16(15)28(26,27)20-17/h2-5,10,12-13H,6-9,11H2,1H3.
What are the key properties of 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 400.46 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126948655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).