2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

C17H22N4OS — CID 120703470

IUPAC2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4OS/c1-18-11-16(22)21-9-7-20(8-10-21)12-15-13-23-17(19-15)14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3
InChIKeyYEBJRJVFSPUXEX-UHFFFAOYSA-N
MW330.46 g/mol
LogP1.67
Rot. Bonds5

About 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 120703470) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID120703470
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H22N4OS/c1-18-11-16(22)21-9-7-20(8-10-21)12-15-13-23-17(19-15)14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3
InChIKeyYEBJRJVFSPUXEX-UHFFFAOYSA-N
XLogP1.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119839413
3,5-dimethyl-N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]benzamide
CID 24608847
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
4-amino-3-methoxy-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 120595004
(2,2-dichloro-1-methylcyclopropyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 43045614
3-amino-2-methyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502707
2-(2-methoxyphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30086333
2-(2-methylphenoxy)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 30463139
tert-butyl N-[3-oxo-3-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propyl]carbamate
CID 30086829
(3-methylthiophen-2-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30214352
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55683750

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 120703470) is 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is CNCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is YEBJRJVFSPUXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-18-11-16(22)21-9-7-20(8-10-21)12-15-13-23-17(19-15)14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 330.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 120703470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).