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

C18H20N2OS2 — CID 92563841

IUPAC(1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1cccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)c1
InChIInChI=1S/C18H20N2OS2/c1-13-12-23-18(20-13)17(10-16-7-4-8-22-16)19-11-14-5-3-6-15(9-14)21-2/h3-9,12,17,19H,10-11H2,1-2H3/t17-/m0/s1
InChIKeyZYGREHFZUWFWEJ-KRWDZBQOSA-N
MW344.51 g/mol
LogP4.60
Rot. Bonds7

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

(1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 92563841) has the molecular formula C18H20N2OS2 and a molecular weight of 344.51 g/mol. Its IUPAC name is (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
PubChem CID92563841
Molecular FormulaC18H20N2OS2
Molecular Weight344.51 g/mol
Exact Mass344.10
IUPAC Name(1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCOc1cccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)c1
InChIInChI=1S/C18H20N2OS2/c1-13-12-23-18(20-13)17(10-16-7-4-8-22-16)19-11-14-5-3-6-15(9-14)21-2/h3-9,12,17,19H,10-11H2,1-2H3/t17-/m0/s1
InChIKeyZYGREHFZUWFWEJ-KRWDZBQOSA-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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Related Compounds

(1S)-N-[(6-methoxyquinolin-2-yl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563837
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92563830
N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63096278
N-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 110221688
(1R)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(3-methoxyphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92597640
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine
CID 92594663
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2-dithiophen-2-ylethanamine
CID 61044447
2-(3-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 51895007
N-(2-methoxyethyl)-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 62542442
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-thiophen-2-ylpropan-2-amine
CID 82893826
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

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine (CID 92563841) is (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is COc1cccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)c1.
What is the InChIKey of (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is ZYGREHFZUWFWEJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2OS2/c1-13-12-23-18(20-13)17(10-16-7-4-8-22-16)19-11-14-5-3-6-15(9-14)21-2/h3-9,12,17,19H,10-11H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine?
(1S)-N-[(3-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 (1S)-N-[(3-methoxyphenyl)methyl]-1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 92563841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).