4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine

C12H15N3OS — CID 82480643

IUPAC4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
SMILESCCc1ccc(OC)c(-c2nc(N)sc2N)c1
InChIInChI=1S/C12H15N3OS/c1-3-7-4-5-9(16-2)8(6-7)10-11(13)17-12(14)15-10/h4-6H,3,13H2,1-2H3,(H2,14,15)
InChIKeyNHGFHHZSKLHAIF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.55
Rot. Bonds3

About 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine

4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine (PubChem CID 82480643) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
PubChem CID82480643
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
SMILESCCc1ccc(OC)c(-c2nc(N)sc2N)c1
InChIInChI=1S/C12H15N3OS/c1-3-7-4-5-9(16-2)8(6-7)10-11(13)17-12(14)15-10/h4-6H,3,13H2,1-2H3,(H2,14,15)
InChIKeyNHGFHHZSKLHAIF-UHFFFAOYSA-N
XLogP2.55
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
2-amino-5-(5-ethyl-2-methoxyphenyl)thiophene-3-carboxylic acid
CID 98020866
ethyl 2-amino-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477373
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968837
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazol-5-amine
CID 62082556
5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228
2-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-amine
CID 96669658
6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95477006
2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
CID 116904266
2-[4-(5-ethyl-2-methoxyphenyl)-2-methylimidazol-1-yl]ethanamine
CID 95466234
2-cyclopentyl-4-(2,5-dimethoxyphenyl)-1,3-thiazol-5-amine
CID 62075863
[2-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889475

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine (CID 82480643) is 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine is CCc1ccc(OC)c(-c2nc(N)sc2N)c1.
What is the InChIKey of 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is NHGFHHZSKLHAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-7-4-5-9(16-2)8(6-7)10-11(13)17-12(14)15-10/h4-6H,3,13H2,1-2H3,(H2,14,15).
What are the key properties of 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine?
4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 249.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 82480643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).