2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide

C22H30N6O3S2 — CID 174451007

IUPAC2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)c1cnc(NC(=O)Cc2ccsc2)s1.CN1CCN(CC(=O)Nc2ncco2)CC1
InChIInChI=1S/C12H14N2OS2.C10H16N4O2/c1-8(2)10-6-13-12(17-10)14-11(15)5-9-3-4-16-7-9;1-13-3-5-14(6-4-13)8-9(15)12-10-11-2-7-16-10/h3-4,6-8H,5H2,1-2H3,(H,13,14,15);2,7H,3-6,8H2,1H3,(H,11,12,15)
InChIKeyZOAKYDONGDATLN-UHFFFAOYSA-N
MW490.66 g/mol
LogP3.37
Rot. Bonds7

About 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide

2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide (PubChem CID 174451007) has the molecular formula C22H30N6O3S2 and a molecular weight of 490.66 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide
PubChem CID174451007
Molecular FormulaC22H30N6O3S2
Molecular Weight490.66 g/mol
Exact Mass490.18
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)c1cnc(NC(=O)Cc2ccsc2)s1.CN1CCN(CC(=O)Nc2ncco2)CC1
InChIInChI=1S/C12H14N2OS2.C10H16N4O2/c1-8(2)10-6-13-12(17-10)14-11(15)5-9-3-4-16-7-9;1-13-3-5-14(6-4-13)8-9(15)12-10-11-2-7-16-10/h3-4,6-8H,5H2,1-2H3,(H,13,14,15);2,7H,3-6,8H2,1H3,(H,11,12,15)
InChIKeyZOAKYDONGDATLN-UHFFFAOYSA-N
XLogP3.37
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.66
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide (CID 174451007) is 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide is CC(C)c1cnc(NC(=O)Cc2ccsc2)s1.CN1CCN(CC(=O)Nc2ncco2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide?
The InChIKey is ZOAKYDONGDATLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2.C10H16N4O2/c1-8(2)10-6-13-12(17-10)14-11(15)5-9-3-4-16-7-9;1-13-3-5-14(6-4-13)8-9(15)12-10-11-2-7-16-10/h3-4,6-8H,5H2,1-2H3,(H,13,14,15);2,7H,3-6,8H2,1H3,(H,11,12,15).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide?
2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide has a molecular weight of 490.66 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(1,3-oxazol-2-yl)acetamide;N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 174451007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).