4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine

C22H24N6O2S — CID 87402568

IUPAC4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOCCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(Nc2nccc(C)n2)n1
InChIInChI=1S/C22H24N6O2S/c1-15-8-10-23-21(24-15)26-22-25-20(14-31-22)18-13-28(27-19(18)9-11-29-2)12-16-4-6-17(30-3)7-5-16/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,23,24,25,26)
InChIKeyGQAXYLOZJGCBKH-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.09
Rot. Bonds9

About 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine

4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine (PubChem CID 87402568) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
PubChem CID87402568
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC Name4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
SMILESCOCCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(Nc2nccc(C)n2)n1
InChIInChI=1S/C22H24N6O2S/c1-15-8-10-23-21(24-15)26-22-25-20(14-31-22)18-13-28(27-19(18)9-11-29-2)12-16-4-6-17(30-3)7-5-16/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,23,24,25,26)
InChIKeyGQAXYLOZJGCBKH-UHFFFAOYSA-N
XLogP4.09
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine (CID 87402568) is 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine is COCCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(Nc2nccc(C)n2)n1.
What is the InChIKey of 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is GQAXYLOZJGCBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-15-8-10-23-21(24-15)26-22-25-20(14-31-22)18-13-28(27-19(18)9-11-29-2)12-16-4-6-17(30-3)7-5-16/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,23,24,25,26).
What are the key properties of 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine?
4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 436.54 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethyl)-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87402568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).