N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C17H16N4OS — CID 22176800

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H16N4OS/c22-16(19-15-9-14(20-21-15)11-6-7-11)8-13-10-23-17(18-13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H2,19,20,21,22)
InChIKeyPJJKMCYKQMDNEY-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.59
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 22176800) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID22176800
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccccc2)n1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C17H16N4OS/c22-16(19-15-9-14(20-21-15)11-6-7-11)8-13-10-23-17(18-13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H2,19,20,21,22)
InChIKeyPJJKMCYKQMDNEY-UHFFFAOYSA-N
XLogP3.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 22176800) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccccc2)n1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PJJKMCYKQMDNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-16(19-15-9-14(20-21-15)11-6-7-11)8-13-10-23-17(18-13)12-4-2-1-3-5-12/h1-5,9-11H,6-8H2,(H2,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 324.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 22176800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).