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

C15H12F2N4OS — CID 71917919

IUPACN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cs1
InChIInChI=1S/C15H12F2N4OS/c1-8-18-9(7-23-8)5-14(22)19-13-6-12(20-21-13)10-3-2-4-11(16)15(10)17/h2-4,6-7H,5H2,1H3,(H2,19,20,21,22)
InChIKeyCSHPNVBVCMHJBG-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.30
Rot. Bonds4

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

N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 71917919) has the molecular formula C15H12F2N4OS and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID71917919
Molecular FormulaC15H12F2N4OS
Molecular Weight334.35 g/mol
Exact Mass334.07
IUPAC NameN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cs1
InChIInChI=1S/C15H12F2N4OS/c1-8-18-9(7-23-8)5-14(22)19-13-6-12(20-21-13)10-3-2-4-11(16)15(10)17/h2-4,6-7H,5H2,1H3,(H2,19,20,21,22)
InChIKeyCSHPNVBVCMHJBG-UHFFFAOYSA-N
XLogP3.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 71917919) is N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cs1.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is CSHPNVBVCMHJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4OS/c1-8-18-9(7-23-8)5-14(22)19-13-6-12(20-21-13)10-3-2-4-11(16)15(10)17/h2-4,6-7H,5H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 71917919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).