2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine

C20H21ClN2O2S — CID 53271932

IUPAC2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCOc1ccc(OC)c(-c2cnc(CNCCc3cccc(Cl)c3)s2)c1
InChIInChI=1S/C20H21ClN2O2S/c1-24-16-6-7-18(25-2)17(11-16)19-12-23-20(26-19)13-22-9-8-14-4-3-5-15(21)10-14/h3-7,10-12,22H,8-9,13H2,1-2H3
InChIKeyYCWSHWXKNMKDJQ-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.81
Rot. Bonds8

About 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine

2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 53271932) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID53271932
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCOc1ccc(OC)c(-c2cnc(CNCCc3cccc(Cl)c3)s2)c1
InChIInChI=1S/C20H21ClN2O2S/c1-24-16-6-7-18(25-2)17(11-16)19-12-23-20(26-19)13-22-9-8-14-4-3-5-15(21)10-14/h3-7,10-12,22H,8-9,13H2,1-2H3
InChIKeyYCWSHWXKNMKDJQ-UHFFFAOYSA-N
XLogP4.81
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-N-[[5-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272031
2-(4-chlorophenyl)-N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271931
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53271885
2-(3-chlorophenyl)-N-[[5-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272277
2-(3-chlorophenyl)-N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272301
2-phenyl-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273059
2-(3,4-dimethoxyphenyl)-N-[[5-(2,3-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272089
2-(3,4-dimethoxyphenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272828
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53271953
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271922
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
2-(2,4-dichlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272468

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 53271932) is 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is COc1ccc(OC)c(-c2cnc(CNCCc3cccc(Cl)c3)s2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is YCWSHWXKNMKDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-24-16-6-7-18(25-2)17(11-16)19-12-23-20(26-19)13-22-9-8-14-4-3-5-15(21)10-14/h3-7,10-12,22H,8-9,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 388.92 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 53271932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).