1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one

C17H16N4O3S — CID 140960481

IUPAC1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one
SMILESCN1C(=O)C(C)(C)c2cc(-c3cnn(C4=CC(=O)NS4=O)c3)ccc21
InChIInChI=1S/C17H16N4O3S/c1-17(2)12-6-10(4-5-13(12)20(3)16(17)23)11-8-18-21(9-11)15-7-14(22)19-25(15)24/h4-9H,1-3H3,(H,19,22)
InChIKeyVQZCPVCUWKRTBQ-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.40
Rot. Bonds2

About 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one

1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one (PubChem CID 140960481) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one.

Molecular Properties

Compound Name1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one
PubChem CID140960481
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one
SMILESCN1C(=O)C(C)(C)c2cc(-c3cnn(C4=CC(=O)NS4=O)c3)ccc21
InChIInChI=1S/C17H16N4O3S/c1-17(2)12-6-10(4-5-13(12)20(3)16(17)23)11-8-18-21(9-11)15-7-14(22)19-25(15)24/h4-9H,1-3H3,(H,19,22)
InChIKeyVQZCPVCUWKRTBQ-UHFFFAOYSA-N
XLogP1.40
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-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 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one?
The IUPAC name of 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one (CID 140960481) is 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one.
What is the SMILES notation for 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one?
The canonical SMILES for 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one is CN1C(=O)C(C)(C)c2cc(-c3cnn(C4=CC(=O)NS4=O)c3)ccc21.
What is the InChIKey of 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one?
The InChIKey is VQZCPVCUWKRTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-17(2)12-6-10(4-5-13(12)20(3)16(17)23)11-8-18-21(9-11)15-7-14(22)19-25(15)24/h4-9H,1-3H3,(H,19,22).
What are the key properties of 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one?
1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one has a molecular weight of 356.41 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-5-[4-(1,3,3-trimethyl-2-oxoindol-5-yl)pyrazol-1-yl]-1,2-thiazol-3-one is sourced from PubChem (CID 140960481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).