(4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone

C20H26N4O3S — CID 53158738

IUPAC(4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)cc1
InChIInChI=1S/C20H26N4O3S/c1-26-18-4-2-16(3-5-18)19(25)23-6-8-24(9-7-23)20-21-17(15-28-20)14-22-10-12-27-13-11-22/h2-5,15H,6-14H2,1H3
InChIKeyPIPONTFJKFJOQP-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.95
Rot. Bonds5

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

(4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (PubChem CID 53158738) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
PubChem CID53158738
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name(4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)cc1
InChIInChI=1S/C20H26N4O3S/c1-26-18-4-2-16(3-5-18)19(25)23-6-8-24(9-7-23)20-21-17(15-28-20)14-22-10-12-27-13-11-22/h2-5,15H,6-14H2,1H3
InChIKeyPIPONTFJKFJOQP-UHFFFAOYSA-N
XLogP1.95
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone (CID 53158738) is (4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(c3nc(CN4CCOCC4)cs3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
The InChIKey is PIPONTFJKFJOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-26-18-4-2-16(3-5-18)19(25)23-6-8-24(9-7-23)20-21-17(15-28-20)14-22-10-12-27-13-11-22/h2-5,15H,6-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone?
(4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone has a molecular weight of 402.52 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 53158738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).