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

C17H18N2OS2 — CID 110221688

IUPACN-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(CNC(Cc2cccs2)c2nccs2)cc1
InChIInChI=1S/C17H18N2OS2/c1-20-14-6-4-13(5-7-14)12-19-16(17-18-8-10-22-17)11-15-3-2-9-21-15/h2-10,16,19H,11-12H2,1H3
InChIKeySPCPNWQWNCGDDX-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.29
Rot. Bonds7

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

N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 110221688) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
PubChem CID110221688
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1ccc(CNC(Cc2cccs2)c2nccs2)cc1
InChIInChI=1S/C17H18N2OS2/c1-20-14-6-4-13(5-7-14)12-19-16(17-18-8-10-22-17)11-15-3-2-9-21-15/h2-10,16,19H,11-12H2,1H3
InChIKeySPCPNWQWNCGDDX-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92594663
N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 110221687
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 110221709
(1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563841
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 51595966
(1S)-N-[(6-methoxyquinolin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563837
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
1-(4-methoxyphenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62602722
2-[(4-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 62514535
(1S)-N-[(2-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
CID 92602063
N-[(4-bromophenyl)methyl]-1,2-dithiophen-2-ylethanamine
CID 60781438

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (CID 110221688) is N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is COc1ccc(CNC(Cc2cccs2)c2nccs2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is SPCPNWQWNCGDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c1-20-14-6-4-13(5-7-14)12-19-16(17-18-8-10-22-17)11-15-3-2-9-21-15/h2-10,16,19H,11-12H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 330.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 110221688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).