2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine

C18H26N2OS — CID 94760893

IUPAC2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine
SMILESCCc1cc(CC(C)(C)c2nc(CCN)cs2)ccc1OC
InChIInChI=1S/C18H26N2OS/c1-5-14-10-13(6-7-16(14)21-4)11-18(2,3)17-20-15(8-9-19)12-22-17/h6-7,10,12H,5,8-9,11,19H2,1-4H3
InChIKeyIYRVYVBTLRIDMQ-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.74
Rot. Bonds7

About 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine

2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 94760893) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine
PubChem CID94760893
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine
SMILESCCc1cc(CC(C)(C)c2nc(CCN)cs2)ccc1OC
InChIInChI=1S/C18H26N2OS/c1-5-14-10-13(6-7-16(14)21-4)11-18(2,3)17-20-15(8-9-19)12-22-17/h6-7,10,12H,5,8-9,11,19H2,1-4H3
InChIKeyIYRVYVBTLRIDMQ-UHFFFAOYSA-N
XLogP3.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[1-(3-fluorophenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82155466
2-[2-[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82155456
2-[1-(3,4-dimethoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazole-4-carboxylic acid
CID 94760837
1-[(3-ethyl-4-methoxyphenyl)methoxy]-2-methylpropan-2-amine
CID 82354162
2-[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 116779537
2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 95466138
3-amino-4-(5-ethyl-2-methoxyphenyl)-3-methylbutanoic acid
CID 112514639
3-[2-[4-(carboxymethyl)-1,3-thiazol-2-yl]-2-methylpropyl]benzoic acid
CID 94761334
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 95445406
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 84761943
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine (CID 94760893) is 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine is CCc1cc(CC(C)(C)c2nc(CCN)cs2)ccc1OC.
What is the InChIKey of 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is IYRVYVBTLRIDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-5-14-10-13(6-7-16(14)21-4)11-18(2,3)17-20-15(8-9-19)12-22-17/h6-7,10,12H,5,8-9,11,19H2,1-4H3.
What are the key properties of 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 318.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3-ethyl-4-methoxyphenyl)-2-methylpropan-2-yl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 94760893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).