1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone

C19H24N4O2S2 — CID 32693677

IUPAC1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1)N1CCCCC1
InChIInChI=1S/C19H24N4O2S2/c24-17(22-5-2-1-3-6-22)12-21-7-9-23(10-8-21)19(25)16-14-27-18(20-16)15-4-11-26-13-15/h4,11,13-14H,1-3,5-10,12H2
InChIKeyJGYPNSIQUUZKNZ-UHFFFAOYSA-N
MW404.56 g/mol
LogP2.64
Rot. Bonds4

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

1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 32693677) has the molecular formula C19H24N4O2S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID32693677
Molecular FormulaC19H24N4O2S2
Molecular Weight404.56 g/mol
Exact Mass404.13
IUPAC Name1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1)N1CCCCC1
InChIInChI=1S/C19H24N4O2S2/c24-17(22-5-2-1-3-6-22)12-21-7-9-23(10-8-21)19(25)16-14-27-18(20-16)15-4-11-26-13-15/h4,11,13-14H,1-3,5-10,12H2
InChIKeyJGYPNSIQUUZKNZ-UHFFFAOYSA-N
XLogP2.64
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone (CID 32693677) is 1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is JGYPNSIQUUZKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S2/c24-17(22-5-2-1-3-6-22)12-21-7-9-23(10-8-21)19(25)16-14-27-18(20-16)15-4-11-26-13-15/h4,11,13-14H,1-3,5-10,12H2.
What are the key properties of 1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone?
1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 404.56 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[4-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 32693677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).