(4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone

C20H27N3O4S — CID 42570431

IUPAC(4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2sc(-c3cc(OC)c(OC)c(OC)c3)nc2C)CC1
InChIInChI=1S/C20H27N3O4S/c1-6-22-7-9-23(10-8-22)20(24)18-13(2)21-19(28-18)14-11-15(25-3)17(27-5)16(12-14)26-4/h11-12H,6-10H2,1-5H3
InChIKeyMJXDHVAFSDTYNF-UHFFFAOYSA-N
MW405.52 g/mol
LogP2.92
Rot. Bonds6

About (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone

(4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone (PubChem CID 42570431) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone
PubChem CID42570431
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name(4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone
SMILESCCN1CCN(C(=O)c2sc(-c3cc(OC)c(OC)c(OC)c3)nc2C)CC1
InChIInChI=1S/C20H27N3O4S/c1-6-22-7-9-23(10-8-22)20(24)18-13(2)21-19(28-18)14-11-15(25-3)17(27-5)16(12-14)26-4/h11-12H,6-10H2,1-5H3
InChIKeyMJXDHVAFSDTYNF-UHFFFAOYSA-N
XLogP2.92
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone (CID 42570431) is (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone is CCN1CCN(C(=O)c2sc(-c3cc(OC)c(OC)c(OC)c3)nc2C)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is MJXDHVAFSDTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-6-22-7-9-23(10-8-22)20(24)18-13(2)21-19(28-18)14-11-15(25-3)17(27-5)16(12-14)26-4/h11-12H,6-10H2,1-5H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone?
(4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 405.52 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 42570431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).