2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone

C16H19N3OS — CID 62757081

IUPAC2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCN1CCN(c2nc(CC(=O)c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3OS/c1-18-7-9-19(10-8-18)16-17-14(12-21-16)11-15(20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyUVJAWUIGEXLEKA-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone

2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone (PubChem CID 62757081) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
PubChem CID62757081
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
SMILESCN1CCN(c2nc(CC(=O)c3ccccc3)cs2)CC1
InChIInChI=1S/C16H19N3OS/c1-18-7-9-19(10-8-18)16-17-14(12-21-16)11-15(20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKeyUVJAWUIGEXLEKA-UHFFFAOYSA-N
XLogP2.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[2-(1,4-thiazepan-4-yl)-1,3-thiazol-4-yl]ethanone
CID 62751666
2-[2-(2-ethylpyrrolidin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62755289
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 113369888
2-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 80576750
phenyl-[4-[(2-piperazin-1-yl-1,3-thiazol-4-yl)methyl]phenyl]methanone;hydrate;hydrochloride
CID 21153255
2-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)acetic acid
CID 80575369
1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one
CID 143696082
[4-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]piperazin-1-yl]-phenylmethanone
CID 53158599
2-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 80576803
2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone (CID 62757081) is 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone is CN1CCN(c2nc(CC(=O)c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
The InChIKey is UVJAWUIGEXLEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-18-7-9-19(10-8-18)16-17-14(12-21-16)11-15(20)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3.
What are the key properties of 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone?
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone has a molecular weight of 301.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-1-phenylethanone is sourced from PubChem (CID 62757081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).