N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine

C21H25N3OS — CID 118709521

IUPACN,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine
SMILESCCCc1cc(-c2nc(-c3ccc(OCCN(C)C)cc3)cs2)ccn1
InChIInChI=1S/C21H25N3OS/c1-4-5-18-14-17(10-11-22-18)21-23-20(15-26-21)16-6-8-19(9-7-16)25-13-12-24(2)3/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyQSIAKKKQIJUPTC-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.76
Rot. Bonds8

About N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine

N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine (PubChem CID 118709521) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine
PubChem CID118709521
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine
SMILESCCCc1cc(-c2nc(-c3ccc(OCCN(C)C)cc3)cs2)ccn1
InChIInChI=1S/C21H25N3OS/c1-4-5-18-14-17(10-11-22-18)21-23-20(15-26-21)16-6-8-19(9-7-16)25-13-12-24(2)3/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyQSIAKKKQIJUPTC-UHFFFAOYSA-N
XLogP4.76
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-phenylethyl)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
CID 159855197
N-methyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]-N-(trifluoromethylsulfanyl)aniline
CID 134549821
N-benzyl-4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 25012899
N,N-dibutyl-5-[4-(2-phenyl-1,3-thiazol-4-yl)phenoxy]pentan-1-amine
CID 14146321
2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584
N,N-diethyl-4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 103597410
2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenyl]quinoline-8-sulfonamide
CID 141218719
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-imidazol-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910769
N,N-dimethyl-2-[2-(4-propoxyphenyl)quinolin-4-yl]oxyethanamine
CID 71734010
(1R)-2-[2-[4-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethylamino]-1-pyridin-3-ylethanol
CID 10114560
N,N-dimethyl-2-[(4-phenyl-1,3-thiazol-2-yl)oxy]ethanamine
CID 119090043
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N,N-dimethylethanamine
CID 3031961

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine (CID 118709521) is N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine is CCCc1cc(-c2nc(-c3ccc(OCCN(C)C)cc3)cs2)ccn1.
What is the InChIKey of N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine?
The InChIKey is QSIAKKKQIJUPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-4-5-18-14-17(10-11-22-18)21-23-20(15-26-21)16-6-8-19(9-7-16)25-13-12-24(2)3/h6-11,14-15H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine has a molecular weight of 367.52 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[2-(2-propyl-4-pyridinyl)-1,3-thiazol-4-yl]phenoxy]ethanamine is sourced from PubChem (CID 118709521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).