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

C13H18N4OS — CID 86836141

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ncc(CNC(=O)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H18N4OS/c1-8-12(9(2)17(4)16-8)5-13(18)15-7-11-6-14-10(3)19-11/h6H,5,7H2,1-4H3,(H,15,18)
InChIKeyRBOUFMLOAUJGLO-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.66
Rot. Bonds4

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 86836141) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID86836141
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1ncc(CNC(=O)Cc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H18N4OS/c1-8-12(9(2)17(4)16-8)5-13(18)15-7-11-6-14-10(3)19-11/h6H,5,7H2,1-4H3,(H,15,18)
InChIKeyRBOUFMLOAUJGLO-UHFFFAOYSA-N
XLogP1.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 86836141) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1ncc(CNC(=O)Cc2c(C)nn(C)c2C)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is RBOUFMLOAUJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-12(9(2)17(4)16-8)5-13(18)15-7-11-6-14-10(3)19-11/h6H,5,7H2,1-4H3,(H,15,18).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 86836141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).