2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide

C17H18N4OS — CID 31974404

IUPAC2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H18N4OS/c1-21-15(7-8-19-21)11-18-16(22)10-14-12-23-17(20-14)9-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,18,22)
InChIKeyISOUESFZHKWABX-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.33
Rot. Bonds6

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

2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide (PubChem CID 31974404) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
PubChem CID31974404
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
SMILESCn1nccc1CNC(=O)Cc1csc(Cc2ccccc2)n1
InChIInChI=1S/C17H18N4OS/c1-21-15(7-8-19-21)11-18-16(22)10-14-12-23-17(20-14)9-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,18,22)
InChIKeyISOUESFZHKWABX-UHFFFAOYSA-N
XLogP2.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide (CID 31974404) is 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide is Cn1nccc1CNC(=O)Cc1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
The InChIKey is ISOUESFZHKWABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-21-15(7-8-19-21)11-18-16(22)10-14-12-23-17(20-14)9-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3,(H,18,22).
What are the key properties of 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide?
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide has a molecular weight of 326.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 31974404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).