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

C17H20N8OS — CID 24768410

IUPAC2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3nccs3)n2)CC1
InChIInChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26)
InChIKeyPSCBVZXHPONWAG-UHFFFAOYSA-N
MW384.47 g/mol
LogP0.97
Rot. Bonds5

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

2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 24768410) has the molecular formula C17H20N8OS and a molecular weight of 384.47 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID24768410
Molecular FormulaC17H20N8OS
Molecular Weight384.47 g/mol
Exact Mass384.15
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESCN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3nccs3)n2)CC1
InChIInChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26)
InChIKeyPSCBVZXHPONWAG-UHFFFAOYSA-N
XLogP0.97
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 24768410) is 2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is CN1CCN(CC(=O)Nc2cc(-n3cccn3)nc(-c3nccs3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is PSCBVZXHPONWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8OS/c1-23-6-8-24(9-7-23)12-15(26)20-13-11-14(25-5-2-3-19-25)22-16(21-13)17-18-4-10-27-17/h2-5,10-11H,6-9,12H2,1H3,(H,20,21,22,26).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 384.47 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[6-pyrazol-1-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 24768410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).