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

C13H12N4OS2 — CID 118016504

IUPACN-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn(-c3nccs3)nc2C)s1
InChIInChI=1S/C13H12N4OS2/c1-8-10(7-17(16-8)13-14-5-6-19-13)11-3-4-12(20-11)15-9(2)18/h3-7H,1-2H3,(H,15,18)
InChIKeyUFGJSUMYGLJUBW-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.32
Rot. Bonds3

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

N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide (PubChem CID 118016504) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide
PubChem CID118016504
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC NameN-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(-c2cn(-c3nccs3)nc2C)s1
InChIInChI=1S/C13H12N4OS2/c1-8-10(7-17(16-8)13-14-5-6-19-13)11-3-4-12(20-11)15-9(2)18/h3-7H,1-2H3,(H,15,18)
InChIKeyUFGJSUMYGLJUBW-UHFFFAOYSA-N
XLogP3.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide?
The IUPAC name of N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide (CID 118016504) is N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide is CC(=O)Nc1ccc(-c2cn(-c3nccs3)nc2C)s1.
What is the InChIKey of N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide?
The InChIKey is UFGJSUMYGLJUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c1-8-10(7-17(16-8)13-14-5-6-19-13)11-3-4-12(20-11)15-9(2)18/h3-7H,1-2H3,(H,15,18).
What are the key properties of N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide?
N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide has a molecular weight of 304.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]thiophen-2-yl]acetamide is sourced from PubChem (CID 118016504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).