(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine

C15H20N2OS — CID 81397300

IUPAC(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCCc1ncc(CN[C@@H](C)c2ccccc2OC)s1
InChIInChI=1S/C15H20N2OS/c1-4-15-17-10-12(19-15)9-16-11(2)13-7-5-6-8-14(13)18-3/h5-8,10-11,16H,4,9H2,1-3H3/t11-/m0/s1
InChIKeyQBQRAHGCMMIIJV-NSHDSACASA-N
MW276.41 g/mol
LogP3.56
Rot. Bonds6

About (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine

(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 81397300) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID81397300
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCCc1ncc(CN[C@@H](C)c2ccccc2OC)s1
InChIInChI=1S/C15H20N2OS/c1-4-15-17-10-12(19-15)9-16-11(2)13-7-5-6-8-14(13)18-3/h5-8,10-11,16H,4,9H2,1-3H3/t11-/m0/s1
InChIKeyQBQRAHGCMMIIJV-NSHDSACASA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methoxyaniline
CID 54883557
1-(2-methoxyphenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 43180928
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 60982900
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81397203
1-[2-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777482
2-ethoxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883651
(1S)-1-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81396914
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine
CID 103729895

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 81397300) is (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine is CCc1ncc(CN[C@@H](C)c2ccccc2OC)s1.
What is the InChIKey of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is QBQRAHGCMMIIJV-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-15-17-10-12(19-15)9-16-11(2)13-7-5-6-8-14(13)18-3/h5-8,10-11,16H,4,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine?
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 81397300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).