4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine

C12H14N2OS — CID 121010363

IUPAC4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine
SMILESCCOC(c1ccccc1)c1csc(N)n1
InChIInChI=1S/C12H14N2OS/c1-2-15-11(9-6-4-3-5-7-9)10-8-16-12(13)14-10/h3-8,11H,2H2,1H3,(H2,13,14)
InChIKeyMXMQEYRXXKLDHL-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.85
Rot. Bonds4

About 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine

4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 121010363) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine
PubChem CID121010363
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine
SMILESCCOC(c1ccccc1)c1csc(N)n1
InChIInChI=1S/C12H14N2OS/c1-2-15-11(9-6-4-3-5-7-9)10-8-16-12(13)14-10/h3-8,11H,2H2,1H3,(H2,13,14)
InChIKeyMXMQEYRXXKLDHL-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-N-ethylethanamine
CID 116774603
CID 56851104
CID 56851104
2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
4-(1-aminopropyl)-1,3-thiazol-2-amine
CID 82415862
4-(3-chloropropyl)-2-[ethoxy(phenyl)methyl]-1,3-thiazole
CID 116744336
CID 56851103
CID 56851103
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 116744578
[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 66490998
methyl 2-[2-[ethoxy(phenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 116744555
(1S)-1-[3-[ethoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899946
2-(2-amino-1,3-thiazol-4-yl)-2-methoxyacetic acid
CID 13490301

Frequently Asked Questions

What is the IUPAC name of 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine (CID 121010363) is 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine is CCOC(c1ccccc1)c1csc(N)n1.
What is the InChIKey of 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is MXMQEYRXXKLDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-15-11(9-6-4-3-5-7-9)10-8-16-12(13)14-10/h3-8,11H,2H2,1H3,(H2,13,14).
What are the key properties of 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine?
4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 121010363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).