2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide

C18H24N4O2S — CID 86839413

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C18H24N4O2S/c1-14-13-25-18(24)22(14)12-17(23)19-16-5-3-4-15(10-16)11-21-8-6-20(2)7-9-21/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,23)
InChIKeyWVUMQRZDBQLEIE-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.60
Rot. Bonds5

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide (PubChem CID 86839413) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
PubChem CID86839413
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCc1csc(=O)n1CC(=O)Nc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C18H24N4O2S/c1-14-13-25-18(24)22(14)12-17(23)19-16-5-3-4-15(10-16)11-21-8-6-20(2)7-9-21/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,23)
InChIKeyWVUMQRZDBQLEIE-UHFFFAOYSA-N
XLogP1.60
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-acetylpiperazin-1-yl)methyl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 166220691
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 87018121
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86836840
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(2-phenylethynyl)phenyl]acetamide
CID 86917550
2-(aminomethyl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 119902608
2-(2-methylindol-1-yl)-N-[3-(morpholin-4-ylmethyl)phenyl]acetamide
CID 47776662
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56545126
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 86924926
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39302058

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide (CID 86839413) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide is Cc1csc(=O)n1CC(=O)Nc1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is WVUMQRZDBQLEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14-13-25-18(24)22(14)12-17(23)19-16-5-3-4-15(10-16)11-21-8-6-20(2)7-9-21/h3-5,10,13H,6-9,11-12H2,1-2H3,(H,19,23).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 360.48 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 86839413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).