4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide

C20H26N4O2S — CID 51289843

IUPAC4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)N2CCN(c3nccs3)CC2)C(C)C)cc1
InChIInChI=1S/C20H26N4O2S/c1-14(2)17(22-18(25)16-6-4-15(3)5-7-16)19(26)23-9-11-24(12-10-23)20-21-8-13-27-20/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,25)
InChIKeyVTQXYVJARNMOMJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.55
Rot. Bonds5

About 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide

4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide (PubChem CID 51289843) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
PubChem CID51289843
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
SMILESCc1ccc(C(=O)NC(C(=O)N2CCN(c3nccs3)CC2)C(C)C)cc1
InChIInChI=1S/C20H26N4O2S/c1-14(2)17(22-18(25)16-6-4-15(3)5-7-16)19(26)23-9-11-24(12-10-23)20-21-8-13-27-20/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,25)
InChIKeyVTQXYVJARNMOMJ-UHFFFAOYSA-N
XLogP2.55
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide?
The IUPAC name of 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide (CID 51289843) is 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide?
The canonical SMILES for 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide is Cc1ccc(C(=O)NC(C(=O)N2CCN(c3nccs3)CC2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide?
The InChIKey is VTQXYVJARNMOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-14(2)17(22-18(25)16-6-4-15(3)5-7-16)19(26)23-9-11-24(12-10-23)20-21-8-13-27-20/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,25).
What are the key properties of 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide?
4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide is sourced from PubChem (CID 51289843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).