N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

C19H24N8OS — CID 24768407

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc(C)n(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)n1
InChIInChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)
InChIKeyQHUIIOCQAIOLJY-UHFFFAOYSA-N
MW412.52 g/mol
LogP1.59
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 24768407) has the molecular formula C19H24N8OS and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID24768407
Molecular FormulaC19H24N8OS
Molecular Weight412.52 g/mol
Exact Mass412.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1cc(C)n(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)n1
InChIInChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28)
InChIKeyQHUIIOCQAIOLJY-UHFFFAOYSA-N
XLogP1.59
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 24768407) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1cc(C)n(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is QHUIIOCQAIOLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8OS/c1-13-10-14(2)27(24-13)19-21-15(18-20-4-9-29-18)11-16(23-19)22-17(28)12-26-7-5-25(3)6-8-26/h4,9-11H,5-8,12H2,1-3H3,(H,21,22,23,28).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 412.52 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 24768407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).