N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H13FN4OS — CID 155914450

IUPACN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)cs1
InChIInChI=1S/C15H13FN4OS/c1-9-17-12(8-22-9)6-15(21)18-14-7-13(19-20-14)10-2-4-11(16)5-3-10/h2-5,7-8H,6H2,1H3,(H2,18,19,20,21)
InChIKeyGIGIOEABTIDYAU-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.16
Rot. Bonds4

About N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 155914450) has the molecular formula C15H13FN4OS and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID155914450
Molecular FormulaC15H13FN4OS
Molecular Weight316.36 g/mol
Exact Mass316.08
IUPAC NameN-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)cs1
InChIInChI=1S/C15H13FN4OS/c1-9-17-12(8-22-9)6-15(21)18-14-7-13(19-20-14)10-2-4-11(16)5-3-10/h2-5,7-8H,6H2,1H3,(H2,18,19,20,21)
InChIKeyGIGIOEABTIDYAU-UHFFFAOYSA-N
XLogP3.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 155914450) is N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2cc(-c3ccc(F)cc3)[nH]n2)cs1.
What is the InChIKey of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GIGIOEABTIDYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4OS/c1-9-17-12(8-22-9)6-15(21)18-14-7-13(19-20-14)10-2-4-11(16)5-3-10/h2-5,7-8H,6H2,1H3,(H2,18,19,20,21).
What are the key properties of N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 155914450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).