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

C17H22N4OS — CID 60504796

IUPACN-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)N(C)c3nccs3)CC2)c1
InChIInChI=1S/C17H22N4OS/c1-14-4-3-5-15(12-14)21-9-7-20(8-10-21)13-16(22)19(2)17-18-6-11-23-17/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyXORDNSWECZPYNX-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.24
Rot. Bonds4

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

N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 60504796) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID60504796
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)N(C)c3nccs3)CC2)c1
InChIInChI=1S/C17H22N4OS/c1-14-4-3-5-15(12-14)21-9-7-20(8-10-21)13-16(22)19(2)17-18-6-11-23-17/h3-6,11-12H,7-10,13H2,1-2H3
InChIKeyXORDNSWECZPYNX-UHFFFAOYSA-N
XLogP2.24
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853094
N-cyclopentyl-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 60504984
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 111489714
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853144
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 4818731
N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 135112122
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51363163
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-methyl-2-[3-[[(5-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 86773887
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]acetamide
CID 60501653
N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 91831816

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 60504796) is N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cccc(N2CCN(CC(=O)N(C)c3nccs3)CC2)c1.
What is the InChIKey of N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XORDNSWECZPYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-14-4-3-5-15(12-14)21-9-7-20(8-10-21)13-16(22)19(2)17-18-6-11-23-17/h3-6,11-12H,7-10,13H2,1-2H3.
What are the key properties of N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 330.46 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 60504796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).