4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole

C16H25N3OS — CID 143043487

IUPAC4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole
SMILESCCNCCN(CC)c1ccc(O)cc1.Cc1nccs1
InChIInChI=1S/C12H20N2O.C4H5NS/c1-3-13-9-10-14(4-2)11-5-7-12(15)8-6-11;1-4-5-2-3-6-4/h5-8,13,15H,3-4,9-10H2,1-2H3;2-3H,1H3
InChIKeyUGKSQXMTTLEHTA-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.28
Rot. Bonds6

About 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole

4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole (PubChem CID 143043487) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole
PubChem CID143043487
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole
SMILESCCNCCN(CC)c1ccc(O)cc1.Cc1nccs1
InChIInChI=1S/C12H20N2O.C4H5NS/c1-3-13-9-10-14(4-2)11-5-7-12(15)8-6-11;1-4-5-2-3-6-4/h5-8,13,15H,3-4,9-10H2,1-2H3;2-3H,1H3
InChIKeyUGKSQXMTTLEHTA-UHFFFAOYSA-N
XLogP3.28
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole?
The IUPAC name of 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole (CID 143043487) is 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole?
The canonical SMILES for 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole is CCNCCN(CC)c1ccc(O)cc1.Cc1nccs1.
What is the InChIKey of 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole?
The InChIKey is UGKSQXMTTLEHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O.C4H5NS/c1-3-13-9-10-14(4-2)11-5-7-12(15)8-6-11;1-4-5-2-3-6-4/h5-8,13,15H,3-4,9-10H2,1-2H3;2-3H,1H3.
What are the key properties of 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole?
4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole has a molecular weight of 307.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[2-(ethylamino)ethyl]amino]phenol;2-methyl-1,3-thiazole is sourced from PubChem (CID 143043487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).