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

C22H24N4OS — CID 18189834

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCN1CCN(c2ccccc2NC(=O)Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H24N4OS/c1-25-11-13-26(14-12-25)20-10-6-5-9-19(20)24-21(27)15-18-16-28-22(23-18)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,24,27)
InChIKeyIOALSIHEVRBWBY-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.74
Rot. Bonds5

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

N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 18189834) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID18189834
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCN1CCN(c2ccccc2NC(=O)Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C22H24N4OS/c1-25-11-13-26(14-12-25)20-10-6-5-9-19(20)24-21(27)15-18-16-28-22(23-18)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,24,27)
InChIKeyIOALSIHEVRBWBY-UHFFFAOYSA-N
XLogP3.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 17498046
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203923
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18198223
N-(2,3-dichlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2100218
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24664084
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55389027
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 60517302
2-(2-phenyl-1,3-thiazol-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30181961
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 47777690
N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55788180

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 18189834) is N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is CN1CCN(c2ccccc2NC(=O)Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IOALSIHEVRBWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-25-11-13-26(14-12-25)20-10-6-5-9-19(20)24-21(27)15-18-16-28-22(23-18)17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 392.53 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 18189834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).