N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine

C24H24N2O2S2 — CID 17478782

IUPACN-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESCCOc1ccc(-c2nc(CNC(c3ccccc3)c3cccs3)cs2)cc1OC
InChIInChI=1S/C24H24N2O2S2/c1-3-28-20-12-11-18(14-21(20)27-2)24-26-19(16-30-24)15-25-23(22-10-7-13-29-22)17-8-5-4-6-9-17/h4-14,16,23,25H,3,15H2,1-2H3
InChIKeyMICBIJYBJRBTQU-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.16
Rot. Bonds9

About N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine

N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine (PubChem CID 17478782) has the molecular formula C24H24N2O2S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
PubChem CID17478782
Molecular FormulaC24H24N2O2S2
Molecular Weight436.60 g/mol
Exact Mass436.13
IUPAC NameN-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
SMILESCCOc1ccc(-c2nc(CNC(c3ccccc3)c3cccs3)cs2)cc1OC
InChIInChI=1S/C24H24N2O2S2/c1-3-28-20-12-11-18(14-21(20)27-2)24-26-19(16-30-24)15-25-23(22-10-7-13-29-22)17-8-5-4-6-9-17/h4-14,16,23,25H,3,15H2,1-2H3
InChIKeyMICBIJYBJRBTQU-UHFFFAOYSA-N
XLogP6.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 4826071
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60640937
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
(1R)-N-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)-1-phenylmethanamine
CID 8640407
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl thiophene-2-carboxylate
CID 4800176
(1S)-1-(3-chlorophenyl)-N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9307623
(1S)-1-(4-methylphenyl)-1-phenyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 9393421
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
5-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)-1,3,4-thiadiazol-2-amine
CID 16575989
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 112797223
4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 16539520
2-(4-ethoxy-3-methoxyphenyl)-4-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 16511439

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine (CID 17478782) is N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine is CCOc1ccc(-c2nc(CNC(c3ccccc3)c3cccs3)cs2)cc1OC.
What is the InChIKey of N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
The InChIKey is MICBIJYBJRBTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S2/c1-3-28-20-12-11-18(14-21(20)27-2)24-26-19(16-30-24)15-25-23(22-10-7-13-29-22)17-8-5-4-6-9-17/h4-14,16,23,25H,3,15H2,1-2H3.
What are the key properties of N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine?
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine has a molecular weight of 436.60 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 17478782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).