2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C22H29N5O2S — CID 42876759

IUPAC2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCN(C(=O)c3csc(Nc4ccccc4)n3)CC2)CC1
InChIInChI=1S/C22H29N5O2S/c1-17-7-9-26(10-8-17)20(28)15-25-11-13-27(14-12-25)21(29)19-16-30-22(24-19)23-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3,(H,23,24)
InChIKeyOFMZRHMNRFBUHS-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.90
Rot. Bonds5

About 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 42876759) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID42876759
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC Name2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCN(C(=O)c3csc(Nc4ccccc4)n3)CC2)CC1
InChIInChI=1S/C22H29N5O2S/c1-17-7-9-26(10-8-17)20(28)15-25-11-13-27(14-12-25)21(29)19-16-30-22(24-19)23-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3,(H,23,24)
InChIKeyOFMZRHMNRFBUHS-UHFFFAOYSA-N
XLogP2.90
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876899
1-(4-benzylpiperidin-1-yl)-2-[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876910
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 42876762
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876950
2-[4-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 46079059
2-[4-[2-(benzylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 42876781
[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818281
1-(2,6-dimethylmorpholin-4-yl)-2-[4-[2-(methylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42876721
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 46079084
2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255758
2-[4-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46079079
2-fluoro-N-[4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 46114227

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 42876759) is 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN2CCN(C(=O)c3csc(Nc4ccccc4)n3)CC2)CC1.
What is the InChIKey of 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is OFMZRHMNRFBUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-17-7-9-26(10-8-17)20(28)15-25-11-13-27(14-12-25)21(29)19-16-30-22(24-19)23-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3,(H,23,24).
What are the key properties of 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 427.57 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-anilino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 42876759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).