1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C13H16N2OS — CID 61280554

IUPAC1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOc1cccc(-c2ncc(CNC)s2)c1
InChIInChI=1S/C13H16N2OS/c1-3-16-11-6-4-5-10(7-11)13-15-9-12(17-13)8-14-2/h4-7,9,14H,3,8H2,1-2H3
InChIKeyCZEVKTIUZMNSSI-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.93
Rot. Bonds5

About 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 61280554) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID61280554
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCOc1cccc(-c2ncc(CNC)s2)c1
InChIInChI=1S/C13H16N2OS/c1-3-16-11-6-4-5-10(7-11)13-15-9-12(17-13)8-14-2/h4-7,9,14H,3,8H2,1-2H3
InChIKeyCZEVKTIUZMNSSI-UHFFFAOYSA-N
XLogP2.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61282920
1-[2-(6-methoxynaphthalen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280182
1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79484904
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
N-[1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 62651370
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
2-methoxy-5-[5-(methylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 61280570
3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol
CID 115091792
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
N-methyl-1-(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)methanamine
CID 81143716
N-[[2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422567
N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
CID 56892863

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 61280554) is 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CCOc1cccc(-c2ncc(CNC)s2)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is CZEVKTIUZMNSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-16-11-6-4-5-10(7-11)13-15-9-12(17-13)8-14-2/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 61280554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).