(4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone

C20H26FN5OS — CID 71840279

IUPAC(4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone
SMILESCCN1CCN(C(=O)c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)CC1
InChIInChI=1S/C20H26FN5OS/c1-2-23-7-9-25(10-8-23)19(27)18-15-28-20(22-18)26-13-11-24(12-14-26)17-5-3-16(21)4-6-17/h3-6,15H,2,7-14H2,1H3
InChIKeyVKPYLLUMAHSISJ-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.39
Rot. Bonds4

About (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone

(4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone (PubChem CID 71840279) has the molecular formula C20H26FN5OS and a molecular weight of 403.53 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone
PubChem CID71840279
Molecular FormulaC20H26FN5OS
Molecular Weight403.53 g/mol
Exact Mass403.18
IUPAC Name(4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone
SMILESCCN1CCN(C(=O)c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)CC1
InChIInChI=1S/C20H26FN5OS/c1-2-23-7-9-25(10-8-23)19(27)18-15-28-20(22-18)26-13-11-24(12-14-26)17-5-3-16(21)4-6-17/h3-6,15H,2,7-14H2,1H3
InChIKeyVKPYLLUMAHSISJ-UHFFFAOYSA-N
XLogP2.39
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
2-(Phenylamino)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 24779781
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967393
(2,3-Dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
CID 71818431
1-(2,6-Dimethyl-piperidin-1-yl)-2-{4-[4-(4-fluoro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-ethanone
CID 651609
2-p-Tolylamino-thiazole-4-carboxylic acid diethylamide
CID 654109
N-benzyl-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096819
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 6465336
2-[4-(4-fluorophenyl)-1-piperazinyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17066571
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 17428539
N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51128940

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone (CID 71840279) is (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone is CCN1CCN(C(=O)c2csc(N3CCN(c4ccc(F)cc4)CC3)n2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone?
The InChIKey is VKPYLLUMAHSISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5OS/c1-2-23-7-9-25(10-8-23)19(27)18-15-28-20(22-18)26-13-11-24(12-14-26)17-5-3-16(21)4-6-17/h3-6,15H,2,7-14H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone?
(4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone has a molecular weight of 403.53 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 71840279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).