[4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone

C20H32N4OS — CID 53158609

IUPAC[4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(c2nc(CN3CCCCCC3)cs2)CC1
InChIInChI=1S/C20H32N4OS/c25-19(17-7-3-4-8-17)23-11-13-24(14-12-23)20-21-18(16-26-20)15-22-9-5-1-2-6-10-22/h16-17H,1-15H2
InChIKeyCUFXYSNXUDJCAY-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.36
Rot. Bonds4

About [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone

[4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 53158609) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone
PubChem CID53158609
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name[4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone
SMILESO=C(C1CCCC1)N1CCN(c2nc(CN3CCCCCC3)cs2)CC1
InChIInChI=1S/C20H32N4OS/c25-19(17-7-3-4-8-17)23-11-13-24(14-12-23)20-21-18(16-26-20)15-22-9-5-1-2-6-10-22/h16-17H,1-15H2
InChIKeyCUFXYSNXUDJCAY-UHFFFAOYSA-N
XLogP3.36
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone (CID 53158609) is [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCN(c2nc(CN3CCCCCC3)cs2)CC1.
What is the InChIKey of [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone?
The InChIKey is CUFXYSNXUDJCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c25-19(17-7-3-4-8-17)23-11-13-24(14-12-23)20-21-18(16-26-20)15-22-9-5-1-2-6-10-22/h16-17H,1-15H2.
What are the key properties of [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone?
[4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 376.57 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 53158609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).