N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine

C16H22N2OS — CID 63020465

IUPACN-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1OCc1cnc(C)s1
InChIInChI=1S/C16H22N2OS/c1-4-9-17-12(2)15-7-5-6-8-16(15)19-11-14-10-18-13(3)20-14/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyTYTMUCSJNATPOE-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.09
Rot. Bonds7

About N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine

N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine (PubChem CID 63020465) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
PubChem CID63020465
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1OCc1cnc(C)s1
InChIInChI=1S/C16H22N2OS/c1-4-9-17-12(2)15-7-5-6-8-16(15)19-11-14-10-18-13(3)20-14/h5-8,10,12,17H,4,9,11H2,1-3H3
InChIKeyTYTMUCSJNATPOE-UHFFFAOYSA-N
XLogP4.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60777482
1-[4-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylethanamine
CID 63064107
N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106929162
N-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774389
2-chloro-5-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazole
CID 79765645
N-[1-[2-(2-chloroprop-2-enoxy)phenyl]ethyl]propan-1-amine
CID 60882886
(1R)-1-(2-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81379629
(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368
N-propyl-2-[2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 43279683
N-[1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 115978893
N-[1-[2-[(5-bromothiophen-2-yl)methoxy]-4-fluorophenyl]ethyl]propan-1-amine
CID 63485328
N-[1-(2-hexoxyphenyl)ethyl]octan-1-amine
CID 54807415

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine (CID 63020465) is N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1OCc1cnc(C)s1.
What is the InChIKey of N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is TYTMUCSJNATPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-4-9-17-12(2)15-7-5-6-8-16(15)19-11-14-10-18-13(3)20-14/h5-8,10,12,17H,4,9,11H2,1-3H3.
What are the key properties of N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine?
N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 63020465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).