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

C18H19N3O2S — CID 53273482

IUPAC1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2ncc(-c3ccccn3)s2)c1OC
InChIInChI=1S/C18H19N3O2S/c1-22-15-8-5-6-13(18(15)23-2)10-19-12-17-21-11-16(24-17)14-7-3-4-9-20-14/h3-9,11,19H,10,12H2,1-2H3
InChIKeyCVSPFPGNMNBLNU-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.51
Rot. Bonds7

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

1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 53273482) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID53273482
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1cccc(CNCc2ncc(-c3ccccn3)s2)c1OC
InChIInChI=1S/C18H19N3O2S/c1-22-15-8-5-6-13(18(15)23-2)10-19-12-17-21-11-16(24-17)14-7-3-4-9-20-14/h3-9,11,19H,10,12H2,1-2H3
InChIKeyCVSPFPGNMNBLNU-UHFFFAOYSA-N
XLogP3.51
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(2,6-dichlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 53272157
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272659
N-[[5-(2-chloro-6-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 53271539
1-(2-methoxyphenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273236
1-(2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272508
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 53272234
2-(2-methoxyphenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273016
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768
2-(2-fluorophenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53273470
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273448

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine (CID 53273482) is 1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine is COc1cccc(CNCc2ncc(-c3ccccn3)s2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is CVSPFPGNMNBLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-22-15-8-5-6-13(18(15)23-2)10-19-12-17-21-11-16(24-17)14-7-3-4-9-20-14/h3-9,11,19H,10,12H2,1-2H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 341.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 53273482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).