[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

C15H20N2O3S — CID 82441266

IUPAC[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOc1c(OC)cccc1-c1nc(COC)c(CN)s1
InChIInChI=1S/C15H20N2O3S/c1-4-20-14-10(6-5-7-12(14)19-3)15-17-11(9-18-2)13(8-16)21-15/h5-7H,4,8-9,16H2,1-3H3
InChIKeyLQRJEXQVDQGOPQ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.82
Rot. Bonds7

About [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine

[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 82441266) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID82441266
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
SMILESCCOc1c(OC)cccc1-c1nc(COC)c(CN)s1
InChIInChI=1S/C15H20N2O3S/c1-4-20-14-10(6-5-7-12(14)19-3)15-17-11(9-18-2)13(8-16)21-15/h5-7H,4,8-9,16H2,1-3H3
InChIKeyLQRJEXQVDQGOPQ-UHFFFAOYSA-N
XLogP2.82
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441264
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 20991959
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82432605
2-[2-(2-ethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441153
2-[4-(methoxymethyl)-2-(2-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82441136
[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437353
2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427169
2-[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 82515948
[4-(methoxymethyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methanamine
CID 114361753
[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82191248

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine (CID 82441266) is [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is CCOc1c(OC)cccc1-c1nc(COC)c(CN)s1.
What is the InChIKey of [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is LQRJEXQVDQGOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-4-20-14-10(6-5-7-12(14)19-3)15-17-11(9-18-2)13(8-16)21-15/h5-7H,4,8-9,16H2,1-3H3.
What are the key properties of [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine?
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 308.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 82441266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).