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

C20H18N4O2S2 — CID 27477372

IUPAC2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C20H18N4O2S2/c1-13-10-18(22-19(25)11-14-5-7-15(26-2)8-6-14)24(23-13)20-21-16(12-28-20)17-4-3-9-27-17/h3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyDADNCYUFXQSDLQ-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.56
Rot. Bonds6

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

2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (PubChem CID 27477372) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
PubChem CID27477372
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C20H18N4O2S2/c1-13-10-18(22-19(25)11-14-5-7-15(26-2)8-6-14)24(23-13)20-21-16(12-28-20)17-4-3-9-27-17/h3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyDADNCYUFXQSDLQ-UHFFFAOYSA-N
XLogP4.56
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (CID 27477372) is 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is DADNCYUFXQSDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-13-10-18(22-19(25)11-14-5-7-15(26-2)8-6-14)24(23-13)20-21-16(12-28-20)17-4-3-9-27-17/h3-10,12H,11H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 27477372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).