2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine

C8H14N2OS — CID 83876693

IUPAC2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine
SMILESCCOc1nc(CCNC)cs1
InChIInChI=1S/C8H14N2OS/c1-3-11-8-10-7(6-12-8)4-5-9-2/h6,9H,3-5H2,1-2H3
InChIKeyCRBHKQYEJIZEAJ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.30
Rot. Bonds5

About 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine

2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine (PubChem CID 83876693) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine
PubChem CID83876693
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine
SMILESCCOc1nc(CCNC)cs1
InChIInChI=1S/C8H14N2OS/c1-3-11-8-10-7(6-12-8)4-5-9-2/h6,9H,3-5H2,1-2H3
InChIKeyCRBHKQYEJIZEAJ-UHFFFAOYSA-N
XLogP1.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
CID 83876777
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
2-[4-(ethoxymethyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558488
N-methyl-2-[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115089122
2-ethoxy-1,3-thiazole-4-carbaldehyde
CID 83872893
N-methyl-1-(2-phenylmethoxy-1,3-thiazol-4-yl)methanamine
CID 131072397
2-[2-(5-bromo-2-methylphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888139
2-[2-(5-bromofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089119
2-[2-(5-chlorofuran-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 115089115
N-methyl-2-[2-(thian-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088156
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 114275577

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine (CID 83876693) is 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine is CCOc1nc(CCNC)cs1.
What is the InChIKey of 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine?
The InChIKey is CRBHKQYEJIZEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-11-8-10-7(6-12-8)4-5-9-2/h6,9H,3-5H2,1-2H3.
What are the key properties of 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine?
2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine has a molecular weight of 186.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 83876693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).