N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

C16H24N2O2S — CID 64550265

IUPACN-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCOc1ccc(OCC)c(NC2=NC(C)(CC)CS2)c1
InChIInChI=1S/C16H24N2O2S/c1-5-16(4)11-21-15(18-16)17-13-10-12(19-6-2)8-9-14(13)20-7-3/h8-10H,5-7,11H2,1-4H3,(H,17,18)
InChIKeyZOQDXDABJVOQET-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.17
Rot. Bonds6

About N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64550265) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64550265
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCOc1ccc(OCC)c(NC2=NC(C)(CC)CS2)c1
InChIInChI=1S/C16H24N2O2S/c1-5-16(4)11-21-15(18-16)17-13-10-12(19-6-2)8-9-14(13)20-7-3/h8-10H,5-7,11H2,1-4H3,(H,17,18)
InChIKeyZOQDXDABJVOQET-UHFFFAOYSA-N
XLogP4.17
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-diethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439757
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549229
4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64551922
2,5-diethoxy-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657607
N-(4-ethoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62522939
N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550701
(2,5-diethoxyphenyl)hydrazine
CID 119006370
2-N-(2,5-diethoxyphenyl)pyrimidine-2,5-diamine
CID 61146119
4-N-(2,5-diethoxyphenyl)-2-methylbenzene-1,4-diamine
CID 43436266
6-bromo-2-N-(2,5-diethoxyphenyl)pyrimidine-2,4-diamine
CID 116796223
N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64631499

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 64550265) is N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCOc1ccc(OCC)c(NC2=NC(C)(CC)CS2)c1.
What is the InChIKey of N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is ZOQDXDABJVOQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-5-16(4)11-21-15(18-16)17-13-10-12(19-6-2)8-9-14(13)20-7-3/h8-10H,5-7,11H2,1-4H3,(H,17,18).
What are the key properties of N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 308.45 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64550265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).