N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine

C13H16N2OS — CID 119090043

IUPACN,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine
SMILESCN(C)CCOc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H16N2OS/c1-15(2)8-9-16-13-14-12(10-17-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyAIVDIWPMHGDKIJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.75
Rot. Bonds5

About N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine

N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine (PubChem CID 119090043) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine
PubChem CID119090043
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine
SMILESCN(C)CCOc1nc(-c2ccccc2)cs1
InChIInChI=1S/C13H16N2OS/c1-15(2)8-9-16-13-14-12(10-17-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyAIVDIWPMHGDKIJ-UHFFFAOYSA-N
XLogP2.75
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N',N'-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 62899204
N-[[2-[3-(dimethylamino)propoxy]phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168579344
carbon dioxide;N-(2-methoxyethyl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 158108642
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 3173561
1-N,1-N,3-N-trimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butane-1,3-diamine
CID 115346382
N-[3-(dimethylamino)propyl]-2-phenoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 171667861
N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine
CID 118709521
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
2-butoxy-4-(4-isothiocyanatophenyl)-1,3-thiazole
CID 154100729
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
1-(dimethylamino)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-ol
CID 79820116
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine (CID 119090043) is N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine is CN(C)CCOc1nc(-c2ccccc2)cs1.
What is the InChIKey of N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine?
The InChIKey is AIVDIWPMHGDKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-15(2)8-9-16-13-14-12(10-17-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine?
N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine is sourced from PubChem (CID 119090043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).