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

C19H25N3O2S — CID 7422630

IUPAC1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccccc2)n(CCCN2CCOCC2)c1C
InChIInChI=1S/C19H25N3O2S/c1-15-18(16(2)23)25-19(20-17-7-4-3-5-8-17)22(15)10-6-9-21-11-13-24-14-12-21/h3-5,7-8H,6,9-14H2,1-2H3/b20-19-
InChIKeyNADZKQLOBUAROC-VXPUYCOJSA-N
MW359.50 g/mol
LogP3.02
Rot. Bonds6

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

1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone (PubChem CID 7422630) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone
PubChem CID7422630
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1s/c(=N\c2ccccc2)n(CCCN2CCOCC2)c1C
InChIInChI=1S/C19H25N3O2S/c1-15-18(16(2)23)25-19(20-17-7-4-3-5-8-17)22(15)10-6-9-21-11-13-24-14-12-21/h3-5,7-8H,6,9-14H2,1-2H3/b20-19-
InChIKeyNADZKQLOBUAROC-VXPUYCOJSA-N
XLogP3.02
TPSA46.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone (CID 7422630) is 1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone is CC(=O)c1s/c(=N\c2ccccc2)n(CCCN2CCOCC2)c1C.
What is the InChIKey of 1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone?
The InChIKey is NADZKQLOBUAROC-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15-18(16(2)23)25-19(20-17-7-4-3-5-8-17)22(15)10-6-9-21-11-13-24-14-12-21/h3-5,7-8H,6,9-14H2,1-2H3/b20-19-.
What are the key properties of 1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone has a molecular weight of 359.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 7422630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).