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

C19H26N4O2S — CID 87018121

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-15-14-26-19(25)23(15)13-18(24)20-11-16-3-5-17(6-4-16)12-22-9-7-21(2)8-10-22/h3-6,14H,7-13H2,1-2H3,(H,20,24)
InChIKeyXYCXLYWNIFJCRV-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.28
Rot. Bonds6

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

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 87018121) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID87018121
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1csc(=O)n1CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-15-14-26-19(25)23(15)13-18(24)20-11-16-3-5-17(6-4-16)12-22-9-7-21(2)8-10-22/h3-6,14H,7-13H2,1-2H3,(H,20,24)
InChIKeyXYCXLYWNIFJCRV-UHFFFAOYSA-N
XLogP1.28
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]methyl]benzoic acid
CID 43171939
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 86839413
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 39302058
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 8896530
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 55840190
3-amino-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 119901440
N-[(4-acetamidophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24628966
2-(cyclopropylmethylamino)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 119901424
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 134029589
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 9488591
3-(4-fluorophenyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55841098
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55841099

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide (CID 87018121) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is Cc1csc(=O)n1CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is XYCXLYWNIFJCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-15-14-26-19(25)23(15)13-18(24)20-11-16-3-5-17(6-4-16)12-22-9-7-21(2)8-10-22/h3-6,14H,7-13H2,1-2H3,(H,20,24).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 1.28, 6 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-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 87018121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).