N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine

C15H20N2OS — CID 79774389

IUPACN-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2ccccc2C(C)C)s1
InChIInChI=1S/C15H20N2OS/c1-4-16-15-17-9-12(19-15)10-18-14-8-6-5-7-13(14)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,16,17)
InChIKeyJPZQMISQIKXKLB-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.28
Rot. Bonds6

About N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine

N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79774389) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79774389
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(COc2ccccc2C(C)C)s1
InChIInChI=1S/C15H20N2OS/c1-4-16-15-17-9-12(19-15)10-18-14-8-6-5-7-13(14)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,16,17)
InChIKeyJPZQMISQIKXKLB-UHFFFAOYSA-N
XLogP4.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79765645
N-ethyl-5-[(2-fluoro-3-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 107660672
N-ethyl-5-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79775041
5-[(2,4-dibromophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774037
5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 112644779
[2-[[2-(propylamino)-1,3-thiazol-5-yl]methoxy]phenyl]methanol
CID 79775065
N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 63020465
5-[(4-bromo-2-fluorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774025
N-ethyl-5-[(3-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79774764
N-[[4-[(2-propan-2-ylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62459431
[5-[(2-propoxyphenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765055
5-[(3,4-dichlorophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79774030

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine (CID 79774389) is N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine is CCNc1ncc(COc2ccccc2C(C)C)s1.
What is the InChIKey of N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is JPZQMISQIKXKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-16-15-17-9-12(19-15)10-18-14-8-6-5-7-13(14)11(2)3/h5-9,11H,4,10H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 276.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79774389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).