1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine

C15H20N2O2S — CID 64544101

IUPAC1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(-c2cc(OC)ccc2OC)n1
InChIInChI=1S/C15H20N2O2S/c1-5-16-10(2)13-9-20-15(17-13)12-8-11(18-3)6-7-14(12)19-4/h6-10,16H,5H2,1-4H3
InChIKeyMQCVDIIGUFAGCF-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.50
Rot. Bonds6

About 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine

1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine (PubChem CID 64544101) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
PubChem CID64544101
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
SMILESCCNC(C)c1csc(-c2cc(OC)ccc2OC)n1
InChIInChI=1S/C15H20N2O2S/c1-5-16-10(2)13-9-20-15(17-13)12-8-11(18-3)6-7-14(12)19-4/h6-10,16H,5H2,1-4H3
InChIKeyMQCVDIIGUFAGCF-UHFFFAOYSA-N
XLogP3.50
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147
1-[2-(5-chloro-2-fluorophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64543276
1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544083
4-(2,5-dimethoxyphenyl)-N-ethyl-1,3-thiazol-2-amine
CID 8962407
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 64558061
N-ethyl-1-[2-(2-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 107111648
4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392
N-ethyl-1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544285
4-butan-2-yl-2-(2-methoxyphenyl)-1,3-thiazole
CID 113253756
N-ethyl-1-[2-(2-methyl-5-nitrophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64545097
N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 104817796

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine (CID 64544101) is 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine is CCNC(C)c1csc(-c2cc(OC)ccc2OC)n1.
What is the InChIKey of 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
The InChIKey is MQCVDIIGUFAGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-5-16-10(2)13-9-20-15(17-13)12-8-11(18-3)6-7-14(12)19-4/h6-10,16H,5H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine?
1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine has a molecular weight of 292.40 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 64544101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).