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

C19H22N6O2S — CID 11956198

IUPACN-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)o1
InChIInChI=1S/C19H22N6O2S/c1-13-3-4-15(27-13)18-21-14(19-20-5-10-28-19)11-16(23-18)22-17(26)12-25-8-6-24(2)7-9-25/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,22,23,26)
InChIKeyRSXYRGSDOLORMR-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.35
Rot. Bonds5

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

N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 11956198) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID11956198
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)o1
InChIInChI=1S/C19H22N6O2S/c1-13-3-4-15(27-13)18-21-14(19-20-5-10-28-19)11-16(23-18)22-17(26)12-25-8-6-24(2)7-9-25/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,22,23,26)
InChIKeyRSXYRGSDOLORMR-UHFFFAOYSA-N
XLogP2.35
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 11956198) is N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1ccc(-c2nc(NC(=O)CN3CCN(C)CC3)cc(-c3nccs3)n2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is RSXYRGSDOLORMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-13-3-4-15(27-13)18-21-14(19-20-5-10-28-19)11-16(23-18)22-17(26)12-25-8-6-24(2)7-9-25/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,22,23,26).
What are the key properties of N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 398.49 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 11956198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).