3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol

C15H20N2OS — CID 71861855

IUPAC3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol
SMILESCCN(Cc1csc(C)n1)C(C)c1cccc(O)c1
InChIInChI=1S/C15H20N2OS/c1-4-17(9-14-10-19-12(3)16-14)11(2)13-6-5-7-15(18)8-13/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyUCNSEHXGZHNSQW-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.74
Rot. Bonds5

About 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol

3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol (PubChem CID 71861855) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol
PubChem CID71861855
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol
SMILESCCN(Cc1csc(C)n1)C(C)c1cccc(O)c1
InChIInChI=1S/C15H20N2OS/c1-4-17(9-14-10-19-12(3)16-14)11(2)13-6-5-7-15(18)8-13/h5-8,10-11,18H,4,9H2,1-3H3
InChIKeyUCNSEHXGZHNSQW-UHFFFAOYSA-N
XLogP3.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol?
The IUPAC name of 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol (CID 71861855) is 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol?
The canonical SMILES for 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol is CCN(Cc1csc(C)n1)C(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol?
The InChIKey is UCNSEHXGZHNSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-17(9-14-10-19-12(3)16-14)11(2)13-6-5-7-15(18)8-13/h5-8,10-11,18H,4,9H2,1-3H3.
What are the key properties of 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol?
3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol has a molecular weight of 276.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[ethyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]ethyl]phenol is sourced from PubChem (CID 71861855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).