2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

C19H30N4O2S — CID 53158622

IUPAC2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C19H30N4O2S/c24-18(13-16-3-1-2-4-16)22-5-7-23(8-6-22)19-20-17(15-26-19)14-21-9-11-25-12-10-21/h15-16H,1-14H2
InChIKeyJTFQAHIYSSWLEO-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.20
Rot. Bonds5

About 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone

2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 53158622) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID53158622
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C19H30N4O2S/c24-18(13-16-3-1-2-4-16)22-5-7-23(8-6-22)19-20-17(15-26-19)14-21-9-11-25-12-10-21/h15-16H,1-14H2
InChIKeyJTFQAHIYSSWLEO-UHFFFAOYSA-N
XLogP2.20
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone (CID 53158622) is 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is O=C(CC1CCCC1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1.
What is the InChIKey of 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is JTFQAHIYSSWLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c24-18(13-16-3-1-2-4-16)22-5-7-23(8-6-22)19-20-17(15-26-19)14-21-9-11-25-12-10-21/h15-16H,1-14H2.
What are the key properties of 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone?
2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 378.54 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53158622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).