2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine

C14H18N2OS — CID 116888129

IUPAC2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCOc1ccc(-c2nc(CCNC)cs2)cc1
InChIInChI=1S/C14H18N2OS/c1-3-17-13-6-4-11(5-7-13)14-16-12(10-18-14)8-9-15-2/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyDCIRMHIEEKSPNP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.97
Rot. Bonds6

About 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine (PubChem CID 116888129) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
PubChem CID116888129
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
SMILESCCOc1ccc(-c2nc(CCNC)cs2)cc1
InChIInChI=1S/C14H18N2OS/c1-3-17-13-6-4-11(5-7-13)14-16-12(10-18-14)8-9-15-2/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyDCIRMHIEEKSPNP-UHFFFAOYSA-N
XLogP2.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxy-1,3-thiazol-4-yl)-N-methylethanamine
CID 83876693
2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol
CID 116889638
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
cyclopentyl-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]azanium
CID 8933405
2-ethoxy-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119214
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
5-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 159789278
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-4-propoxybenzamide
CID 35341843
N-(2,5-dimethylphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585808
2-(4-chlorophenoxy)-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 7518324
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 121038440

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The IUPAC name of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine (CID 116888129) is 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine is CCOc1ccc(-c2nc(CCNC)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
The InChIKey is DCIRMHIEEKSPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-17-13-6-4-11(5-7-13)14-16-12(10-18-14)8-9-15-2/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine?
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 116888129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).