N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide

C24H25FN4O4S — CID 55866378

IUPACN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(=O)N(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)cc2S1(=O)=O
InChIInChI=1S/C24H25FN4O4S/c1-15(2)29-24(31)20-11-8-17(13-22(20)34(29,32)33)23(30)28(3)12-4-5-19-14-21(27-26-19)16-6-9-18(25)10-7-16/h6-11,13-15H,4-5,12H2,1-3H3,(H,26,27)
InChIKeySIXMHXZTAZVEDW-UHFFFAOYSA-N
MW484.55 g/mol
LogP3.47
Rot. Bonds7

About N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide

N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide (PubChem CID 55866378) has the molecular formula C24H25FN4O4S and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
PubChem CID55866378
Molecular FormulaC24H25FN4O4S
Molecular Weight484.55 g/mol
Exact Mass484.16
IUPAC NameN-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
SMILESCC(C)N1C(=O)c2ccc(C(=O)N(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)cc2S1(=O)=O
InChIInChI=1S/C24H25FN4O4S/c1-15(2)29-24(31)20-11-8-17(13-22(20)34(29,32)33)23(30)28(3)12-4-5-19-14-21(27-26-19)16-6-9-18(25)10-7-16/h6-11,13-15H,4-5,12H2,1-3H3,(H,26,27)
InChIKeySIXMHXZTAZVEDW-UHFFFAOYSA-N
XLogP3.47
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide 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 N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide?
The IUPAC name of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide (CID 55866378) is N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide?
The canonical SMILES for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide is CC(C)N1C(=O)c2ccc(C(=O)N(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)cc2S1(=O)=O.
What is the InChIKey of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide?
The InChIKey is SIXMHXZTAZVEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4S/c1-15(2)29-24(31)20-11-8-17(13-22(20)34(29,32)33)23(30)28(3)12-4-5-19-14-21(27-26-19)16-6-9-18(25)10-7-16/h6-11,13-15H,4-5,12H2,1-3H3,(H,26,27).
What are the key properties of N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide?
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide is sourced from PubChem (CID 55866378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).