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

C16H17N5OS — CID 71795492

IUPACN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)Cn2cncn2)s1
InChIInChI=1S/C16H17N5OS/c1-11-5-3-4-6-13(11)16-20-12(2)14(23-16)7-18-15(22)8-21-10-17-9-19-21/h3-6,9-10H,7-8H2,1-2H3,(H,18,22)
InChIKeyILNLCZSDVBUDEE-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.33
Rot. Bonds5

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

N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 71795492) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID71795492
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1ccccc1-c1nc(C)c(CNC(=O)Cn2cncn2)s1
InChIInChI=1S/C16H17N5OS/c1-11-5-3-4-6-13(11)16-20-12(2)14(23-16)7-18-15(22)8-21-10-17-9-19-21/h3-6,9-10H,7-8H2,1-2H3,(H,18,22)
InChIKeyILNLCZSDVBUDEE-UHFFFAOYSA-N
XLogP2.33
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 71795492) is N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1ccccc1-c1nc(C)c(CNC(=O)Cn2cncn2)s1.
What is the InChIKey of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is ILNLCZSDVBUDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-5-3-4-6-13(11)16-20-12(2)14(23-16)7-18-15(22)8-21-10-17-9-19-21/h3-6,9-10H,7-8H2,1-2H3,(H,18,22).
What are the key properties of N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 71795492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).