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

C17H18N4O2S — CID 650434

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cn3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-11-8-12(2)21(20-11)9-16(22)19-17-18-15(10-24-17)13-4-6-14(23-3)7-5-13/h4-8,10H,9H2,1-3H3,(H,18,19,22)
InChIKeyYPWQUBCETUTRSX-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.27
Rot. Bonds5

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

2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 650434) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID650434
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2csc(NC(=O)Cn3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-11-8-12(2)21(20-11)9-16(22)19-17-18-15(10-24-17)13-4-6-14(23-3)7-5-13/h4-8,10H,9H2,1-3H3,(H,18,19,22)
InChIKeyYPWQUBCETUTRSX-UHFFFAOYSA-N
XLogP3.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 650434) is 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2csc(NC(=O)Cn3nc(C)cc3C)n2)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is YPWQUBCETUTRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-8-12(2)21(20-11)9-16(22)19-17-18-15(10-24-17)13-4-6-14(23-3)7-5-13/h4-8,10H,9H2,1-3H3,(H,18,19,22).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 650434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).