1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone

C20H27N3O3S — CID 7422632

IUPAC1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccccc1/N=c1\sc(C(C)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C20H27N3O3S/c1-15-19(16(2)24)27-20(21-17-7-4-5-8-18(17)25-3)23(15)10-6-9-22-11-13-26-14-12-22/h4-5,7-8H,6,9-14H2,1-3H3/b21-20-
InChIKeyFEBKTGKPTCYPNB-MRCUWXFGSA-N
MW389.52 g/mol
LogP3.02
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone

1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone (PubChem CID 7422632) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
PubChem CID7422632
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone
SMILESCOc1ccccc1/N=c1\sc(C(C)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C20H27N3O3S/c1-15-19(16(2)24)27-20(21-17-7-4-5-8-18(17)25-3)23(15)10-6-9-22-11-13-26-14-12-22/h4-5,7-8H,6,9-14H2,1-3H3/b21-20-
InChIKeyFEBKTGKPTCYPNB-MRCUWXFGSA-N
XLogP3.02
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone (CID 7422632) is 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone is COc1ccccc1/N=c1\sc(C(C)=O)c(C)n1CCCN1CCOCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is FEBKTGKPTCYPNB-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-15-19(16(2)24)27-20(21-17-7-4-5-8-18(17)25-3)23(15)10-6-9-22-11-13-26-14-12-22/h4-5,7-8H,6,9-14H2,1-3H3/b21-20-.
What are the key properties of 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone?
1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 389.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 7422632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).