2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

C18H24N4OS — CID 75369818

IUPAC2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC1CN(CC(=O)NCCc2ccccc2)CCN1c1nccs1
InChIInChI=1S/C18H24N4OS/c1-15-13-21(10-11-22(15)18-20-9-12-24-18)14-17(23)19-8-7-16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,19,23)
InChIKeyIGMAVSJIGPWTHG-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.01
Rot. Bonds6

About 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide

2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 75369818) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID75369818
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCC1CN(CC(=O)NCCc2ccccc2)CCN1c1nccs1
InChIInChI=1S/C18H24N4OS/c1-15-13-21(10-11-22(15)18-20-9-12-24-18)14-17(23)19-8-7-16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,19,23)
InChIKeyIGMAVSJIGPWTHG-UHFFFAOYSA-N
XLogP2.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide (CID 75369818) is 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is CC1CN(CC(=O)NCCc2ccccc2)CCN1c1nccs1.
What is the InChIKey of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is IGMAVSJIGPWTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-15-13-21(10-11-22(15)18-20-9-12-24-18)14-17(23)19-8-7-16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H,19,23).
What are the key properties of 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 75369818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).