(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine

C18H20N2O2S2 — CID 92594663

IUPAC(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(OC)c(CN[C@H](Cc2cccs2)c2nccs2)c1
InChIInChI=1S/C18H20N2O2S2/c1-21-14-5-6-17(22-2)13(10-14)12-20-16(18-19-7-9-24-18)11-15-4-3-8-23-15/h3-10,16,20H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyCJVAATPSZBXOCV-MRXNPFEDSA-N
MW360.50 g/mol
LogP4.30
Rot. Bonds8

About (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine

(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 92594663) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
PubChem CID92594663
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(OC)c(CN[C@H](Cc2cccs2)c2nccs2)c1
InChIInChI=1S/C18H20N2O2S2/c1-21-14-5-6-17(22-2)13(10-14)12-20-16(18-19-7-9-24-18)11-15-4-3-8-23-15/h3-10,16,20H,11-12H2,1-2H3/t16-/m1/s1
InChIKeyCJVAATPSZBXOCV-MRXNPFEDSA-N
XLogP4.30
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 110221687
N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 110221688
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 110221709
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51595966
(1S)-N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92602063
(1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563841
N-[(2-methoxy-5-methylphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 43432805
(1S)-N-[(6-methoxyquinolin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563837
N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 113348876
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261
N-[[5-methoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877961
(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92600697

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (CID 92594663) is (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is COc1ccc(OC)c(CN[C@H](Cc2cccs2)c2nccs2)c1.
What is the InChIKey of (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is CJVAATPSZBXOCV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-21-14-5-6-17(22-2)13(10-14)12-20-16(18-19-7-9-24-18)11-15-4-3-8-23-15/h3-10,16,20H,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 360.50 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 92594663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).