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

C15H14N4OS — CID 70686829

IUPACN-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C15H14N4OS/c1-10-14(21-15(17-10)18-11(2)20)12-4-6-13(7-5-12)19-9-3-8-16-19/h3-9H,1-2H3,(H,17,18,20)
InChIKeyQLEVPCMTGKFOAI-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.26
Rot. Bonds3

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

N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 70686829) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID70686829
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C15H14N4OS/c1-10-14(21-15(17-10)18-11(2)20)12-4-6-13(7-5-12)19-9-3-8-16-19/h3-9H,1-2H3,(H,17,18,20)
InChIKeyQLEVPCMTGKFOAI-UHFFFAOYSA-N
XLogP3.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide (CID 70686829) is N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2ccc(-n3cccn3)cc2)s1.
What is the InChIKey of N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QLEVPCMTGKFOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-10-14(21-15(17-10)18-11(2)20)12-4-6-13(7-5-12)19-9-3-8-16-19/h3-9H,1-2H3,(H,17,18,20).
What are the key properties of N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 70686829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).