N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide

C21H20N4OS — CID 171133551

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide
SMILESCCC(C(=O)Nc1nc(C)cs1)n1cc(-c2cccc3ccccc23)cn1
InChIInChI=1S/C21H20N4OS/c1-3-19(20(26)24-21-23-14(2)13-27-21)25-12-16(11-22-25)18-10-6-8-15-7-4-5-9-17(15)18/h4-13,19H,3H2,1-2H3,(H,23,24,26)
InChIKeyAUBLFPJGTVIANC-UHFFFAOYSA-N
MW376.49 g/mol
LogP5.06
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide (PubChem CID 171133551) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide
PubChem CID171133551
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide
SMILESCCC(C(=O)Nc1nc(C)cs1)n1cc(-c2cccc3ccccc23)cn1
InChIInChI=1S/C21H20N4OS/c1-3-19(20(26)24-21-23-14(2)13-27-21)25-12-16(11-22-25)18-10-6-8-15-7-4-5-9-17(15)18/h4-13,19H,3H2,1-2H3,(H,23,24,26)
InChIKeyAUBLFPJGTVIANC-UHFFFAOYSA-N
XLogP5.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.49
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide (CID 171133551) is N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide is CCC(C(=O)Nc1nc(C)cs1)n1cc(-c2cccc3ccccc23)cn1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide?
The InChIKey is AUBLFPJGTVIANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-3-19(20(26)24-21-23-14(2)13-27-21)25-12-16(11-22-25)18-10-6-8-15-7-4-5-9-17(15)18/h4-13,19H,3H2,1-2H3,(H,23,24,26).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide has a molecular weight of 376.49 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(4-naphthalen-1-ylpyrazol-1-yl)butanamide is sourced from PubChem (CID 171133551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).