2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone

C23H35N3O2S — CID 143281314

IUPAC2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCN(CCCN(C)CC(C)C)CC(=O)c1sc(-c2ccccc2OC)nc1C
InChIInChI=1S/C23H35N3O2S/c1-7-26(14-10-13-25(5)15-17(2)3)16-20(27)22-18(4)24-23(29-22)19-11-8-9-12-21(19)28-6/h8-9,11-12,17H,7,10,13-16H2,1-6H3
InChIKeyFHCGQTXFHFJEQK-UHFFFAOYSA-N
MW417.62 g/mol
LogP4.61
Rot. Bonds12

About 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone

2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 143281314) has the molecular formula C23H35N3O2S and a molecular weight of 417.62 g/mol. Its IUPAC name is 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID143281314
Molecular FormulaC23H35N3O2S
Molecular Weight417.62 g/mol
Exact Mass417.24
IUPAC Name2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCCN(CCCN(C)CC(C)C)CC(=O)c1sc(-c2ccccc2OC)nc1C
InChIInChI=1S/C23H35N3O2S/c1-7-26(14-10-13-25(5)15-17(2)3)16-20(27)22-18(4)24-23(29-22)19-11-8-9-12-21(19)28-6/h8-9,11-12,17H,7,10,13-16H2,1-6H3
InChIKeyFHCGQTXFHFJEQK-UHFFFAOYSA-N
XLogP4.61
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.62
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 143281314) is 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is CCN(CCCN(C)CC(C)C)CC(=O)c1sc(-c2ccccc2OC)nc1C.
What is the InChIKey of 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is FHCGQTXFHFJEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2S/c1-7-26(14-10-13-25(5)15-17(2)3)16-20(27)22-18(4)24-23(29-22)19-11-8-9-12-21(19)28-6/h8-9,11-12,17H,7,10,13-16H2,1-6H3.
What are the key properties of 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone?
2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 417.62 g/mol, XLogP of 4.61, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[methyl(2-methylpropyl)amino]propyl]amino]-1-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 143281314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).