N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine

C19H22N2OS2 — CID 110221709

IUPACN-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(CNC(Cc2cccs2)c2nccs2)c(C)c1C
InChIInChI=1S/C19H22N2OS2/c1-13-14(2)18(22-3)7-6-15(13)12-21-17(19-20-8-10-24-19)11-16-5-4-9-23-16/h4-10,17,21H,11-12H2,1-3H3
InChIKeyGFJUAOMHOCTTKM-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.90
Rot. Bonds7

About N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine

N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 110221709) has the molecular formula C19H22N2OS2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
PubChem CID110221709
Molecular FormulaC19H22N2OS2
Molecular Weight358.53 g/mol
Exact Mass358.12
IUPAC NameN-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(CNC(Cc2cccs2)c2nccs2)c(C)c1C
InChIInChI=1S/C19H22N2OS2/c1-13-14(2)18(22-3)7-6-15(13)12-21-17(19-20-8-10-24-19)11-16-5-4-9-23-16/h4-10,17,21H,11-12H2,1-3H3
InChIKeyGFJUAOMHOCTTKM-UHFFFAOYSA-N
XLogP4.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (CID 110221709) is N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is COc1ccc(CNC(Cc2cccs2)c2nccs2)c(C)c1C.
What is the InChIKey of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is GFJUAOMHOCTTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS2/c1-13-14(2)18(22-3)7-6-15(13)12-21-17(19-20-8-10-24-19)11-16-5-4-9-23-16/h4-10,17,21H,11-12H2,1-3H3.
What are the key properties of N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 358.53 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 110221709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).