N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide

C10H12N4OS — CID 110472608

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2cscn2)n(C)n1
InChIInChI=1S/C10H12N4OS/c1-7-3-9(14(2)13-7)12-10(15)4-8-5-16-6-11-8/h3,5-6H,4H2,1-2H3,(H,12,15)
InChIKeyLTQFENLYMOJNDJ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.37
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide (PubChem CID 110472608) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide
PubChem CID110472608
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide
SMILESCc1cc(NC(=O)Cc2cscn2)n(C)n1
InChIInChI=1S/C10H12N4OS/c1-7-3-9(14(2)13-7)12-10(15)4-8-5-16-6-11-8/h3,5-6H,4H2,1-2H3,(H,12,15)
InChIKeyLTQFENLYMOJNDJ-UHFFFAOYSA-N
XLogP1.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide (CID 110472608) is N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide is Cc1cc(NC(=O)Cc2cscn2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide?
The InChIKey is LTQFENLYMOJNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-7-3-9(14(2)13-7)12-10(15)4-8-5-16-6-11-8/h3,5-6H,4H2,1-2H3,(H,12,15).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide has a molecular weight of 236.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 110472608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).