5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine

C13H16N2OS — CID 43431842

IUPAC5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(Cc2sc(N)nc2C)cc1
InChIInChI=1S/C13H16N2OS/c1-3-16-11-6-4-10(5-7-11)8-12-9(2)15-13(14)17-12/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyVWSNQHNNFBSSRG-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.02
Rot. Bonds4

About 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine

5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43431842) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43431842
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCCOc1ccc(Cc2sc(N)nc2C)cc1
InChIInChI=1S/C13H16N2OS/c1-3-16-11-6-4-10(5-7-11)8-12-9(2)15-13(14)17-12/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyVWSNQHNNFBSSRG-UHFFFAOYSA-N
XLogP3.02
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 83969989
2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid
CID 83969992
5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637228
[5-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 82054609
5-(aminomethyl)-4-methyl-1,3-thiazol-2-amine
CID 24820452
5-[(4-propoxyphenyl)methyl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 82186093
5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 116887988
2-(4-ethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887536
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065378
2-(4-ethoxyphenoxy)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546349

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 43431842) is 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is CCOc1ccc(Cc2sc(N)nc2C)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is VWSNQHNNFBSSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-16-11-6-4-10(5-7-11)8-12-9(2)15-13(14)17-12/h4-7H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 248.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43431842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).