1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

C15H16BrN5O2S — CID 126946284

IUPAC1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(C(=O)c4ccc(Br)s4)C3)c2)C1=O
InChIInChI=1S/C15H16BrN5O2S/c1-18-4-5-20(15(18)23)10-6-17-21(9-10)11-7-19(8-11)14(22)12-2-3-13(16)24-12/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyWHNYPXOGUASVLO-UHFFFAOYSA-N
MW410.30 g/mol
LogP2.28
Rot. Bonds3

About 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one

1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (PubChem CID 126946284) has the molecular formula C15H16BrN5O2S and a molecular weight of 410.30 g/mol. Its IUPAC name is 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
PubChem CID126946284
Molecular FormulaC15H16BrN5O2S
Molecular Weight410.30 g/mol
Exact Mass409.02
IUPAC Name1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2cnn(C3CN(C(=O)c4ccc(Br)s4)C3)c2)C1=O
InChIInChI=1S/C15H16BrN5O2S/c1-18-4-5-20(15(18)23)10-6-17-21(9-10)11-7-19(8-11)14(22)12-2-3-13(16)24-12/h2-3,6,9,11H,4-5,7-8H2,1H3
InChIKeyWHNYPXOGUASVLO-UHFFFAOYSA-N
XLogP2.28
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one (CID 126946284) is 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is CN1CCN(c2cnn(C3CN(C(=O)c4ccc(Br)s4)C3)c2)C1=O.
What is the InChIKey of 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
The InChIKey is WHNYPXOGUASVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5O2S/c1-18-4-5-20(15(18)23)10-6-17-21(9-10)11-7-19(8-11)14(22)12-2-3-13(16)24-12/h2-3,6,9,11H,4-5,7-8H2,1H3.
What are the key properties of 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one?
1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one has a molecular weight of 410.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(5-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 126946284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).