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

C18H20N2OS2 — CID 110221756

IUPACN-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1ccccc1CNC(Cc1cccs1)c1nc(C)cs1
InChIInChI=1S/C18H20N2OS2/c1-13-12-23-18(20-13)16(10-15-7-5-9-22-15)19-11-14-6-3-4-8-17(14)21-2/h3-9,12,16,19H,10-11H2,1-2H3
InChIKeyWVXWLZZFNWPMTB-UHFFFAOYSA-N
MW344.51 g/mol
LogP4.60
Rot. Bonds7

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

N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 110221756) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
PubChem CID110221756
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1ccccc1CNC(Cc1cccs1)c1nc(C)cs1
InChIInChI=1S/C18H20N2OS2/c1-13-12-23-18(20-13)16(10-15-7-5-9-22-15)19-11-14-6-3-4-8-17(14)21-2/h3-9,12,16,19H,10-11H2,1-2H3
InChIKeyWVXWLZZFNWPMTB-UHFFFAOYSA-N
XLogP4.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (CID 110221756) is N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is COc1ccccc1CNC(Cc1cccs1)c1nc(C)cs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is WVXWLZZFNWPMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-13-12-23-18(20-13)16(10-15-7-5-9-22-15)19-11-14-6-3-4-8-17(14)21-2/h3-9,12,16,19H,10-11H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 344.51 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 110221756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).