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

C19H21N3O2S — CID 53271885

IUPACN-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(OC)c(-c2cnc(CNCCc3ccccn3)s2)c1
InChIInChI=1S/C19H21N3O2S/c1-23-15-6-7-17(24-2)16(11-15)18-12-22-19(25-18)13-20-10-8-14-5-3-4-9-21-14/h3-7,9,11-12,20H,8,10,13H2,1-2H3
InChIKeyRXUHBHBATUWUNI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.55
Rot. Bonds8

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

N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 53271885) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
PubChem CID53271885
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(OC)c(-c2cnc(CNCCc3ccccn3)s2)c1
InChIInChI=1S/C19H21N3O2S/c1-23-15-6-7-17(24-2)16(11-15)18-12-22-19(25-18)13-20-10-8-14-5-3-4-9-21-14/h3-7,9,11-12,20H,8,10,13H2,1-2H3
InChIKeyRXUHBHBATUWUNI-UHFFFAOYSA-N
XLogP3.55
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271932
2-phenyl-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273059
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271922
N-[[5-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53272207
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]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53271953
2-(2-chlorophenyl)-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273060
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
2-(3,4-dimethoxyphenyl)-N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53272828
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
N-[[5-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 53272376
N-[[5-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 53271519

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine (CID 53271885) is N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine is COc1ccc(OC)c(-c2cnc(CNCCc3ccccn3)s2)c1.
What is the InChIKey of N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is RXUHBHBATUWUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-23-15-6-7-17(24-2)16(11-15)18-12-22-19(25-18)13-20-10-8-14-5-3-4-9-21-14/h3-7,9,11-12,20H,8,10,13H2,1-2H3.
What are the key properties of N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine?
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 355.46 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 53271885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).