3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

C18H24N4OS — CID 71984321

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CN2CCN(C)CC2)c1)c1nccs1
InChIInChI=1S/C18H24N4OS/c1-14(18-19-6-11-24-18)20-17(23)16-5-3-4-15(12-16)13-22-9-7-21(2)8-10-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,23)
InChIKeyRQCODLKZPWPUGV-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.38
Rot. Bonds5

About 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 71984321) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID71984321
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(CN2CCN(C)CC2)c1)c1nccs1
InChIInChI=1S/C18H24N4OS/c1-14(18-19-6-11-24-18)20-17(23)16-5-3-4-15(12-16)13-22-9-7-21(2)8-10-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,23)
InChIKeyRQCODLKZPWPUGV-UHFFFAOYSA-N
XLogP2.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11613574
3-Methyl-N-{[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl}benzamide
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1-[(1S,2R,4R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-thiazol-2-ylphenyl)ethane-1,2-dione
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CID 44338564
2-((S)-3-Benzyl-2-oxo-piperazin-1-yl)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-acetamide
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N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
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3-(dimethylamino)-5-ethyl-6-methyl-4-(3-thiazol-2-ylbenzoyl)-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 71984321) is 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is CC(NC(=O)c1cccc(CN2CCN(C)CC2)c1)c1nccs1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is RQCODLKZPWPUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14(18-19-6-11-24-18)20-17(23)16-5-3-4-15(12-16)13-22-9-7-21(2)8-10-22/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,20,23).
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 344.48 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 71984321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).