N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

C12H14N2OS — CID 112731172

IUPACN-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(C(C)Nc2nccs2)c1
InChIInChI=1S/C12H14N2OS/c1-9(14-12-13-6-7-16-12)10-4-3-5-11(8-10)15-2/h3-9H,1-2H3,(H,13,14)
InChIKeyQWLPZPVUBCYORU-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.32
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine

N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 112731172) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
PubChem CID112731172
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
SMILESCOc1cccc(C(C)Nc2nccs2)c1
InChIInChI=1S/C12H14N2OS/c1-9(14-12-13-6-7-16-12)10-4-3-5-11(8-10)15-2/h3-9H,1-2H3,(H,13,14)
InChIKeyQWLPZPVUBCYORU-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
CID 78910611
N-[1-(3-methoxyphenyl)ethyl]-5-[4-[5-[1-(3-methoxyphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 74767869
N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
CID 43687855
5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
CID 107706770
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79020836
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
2-chloro-N-[1-(3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 65483939
N-ethyl-1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79823576
N-[1-(4-methoxyphenyl)propan-2-yl]-1,3-thiazol-2-amine
CID 79046617
N-[(3-methoxyphenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332776
1-(3-methoxyphenyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 54863728

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine (CID 112731172) is N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is COc1cccc(C(C)Nc2nccs2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is QWLPZPVUBCYORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9(14-12-13-6-7-16-12)10-4-3-5-11(8-10)15-2/h3-9H,1-2H3,(H,13,14).
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine?
N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 234.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 112731172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).