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

C22H26N4O2S — CID 25282015

IUPAC2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
SMILESCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)CC3CCCCC3)n2)cc1
InChIInChI=1S/C22H26N4O2S/c1-15-12-20(24-21(27)13-16-6-4-3-5-7-16)26(25-15)22-23-19(14-29-22)17-8-10-18(28-2)11-9-17/h8-12,14,16H,3-7,13H2,1-2H3,(H,24,27)
InChIKeyGYAJXDPEEBUFIA-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.22
Rot. Bonds6

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

2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide (PubChem CID 25282015) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
PubChem CID25282015
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Name2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
SMILESCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)CC3CCCCC3)n2)cc1
InChIInChI=1S/C22H26N4O2S/c1-15-12-20(24-21(27)13-16-6-4-3-5-7-16)26(25-15)22-23-19(14-29-22)17-8-10-18(28-2)11-9-17/h8-12,14,16H,3-7,13H2,1-2H3,(H,24,27)
InChIKeyGYAJXDPEEBUFIA-UHFFFAOYSA-N
XLogP5.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1498355
2-cyclopentyl-N-[2-methyl-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]imidazol-4-yl]acetamide
CID 39742220
N-[2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 25282145
2-(4-methoxyphenyl)-N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 27477372
N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1490075
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 25281558
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 4873520
2-cyclohexyl-N-[5-(4-methoxyphenyl)-3-methylpyrazin-2-yl]acetamide
CID 143000085
N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 25282253
2-cyclohexyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753190
2-chloro-N-[2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]benzamide
CID 25281972

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide (CID 25282015) is 2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide is COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)CC3CCCCC3)n2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide?
The InChIKey is GYAJXDPEEBUFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-12-20(24-21(27)13-16-6-4-3-5-7-16)26(25-15)22-23-19(14-29-22)17-8-10-18(28-2)11-9-17/h8-12,14,16H,3-7,13H2,1-2H3,(H,24,27).
What are the key properties of 2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide?
2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 25282015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).