N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine

C20H23N3OS — CID 177382829

IUPACN'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1ccccc1OCc1cccc(-c2nccs2)c1
InChIInChI=1S/C20H23N3OS/c1-23(11-9-21)14-18-6-2-3-8-19(18)24-15-16-5-4-7-17(13-16)20-22-10-12-25-20/h2-8,10,12-13H,9,11,14-15,21H2,1H3
InChIKeyMPASEZSHHLMDOX-UHFFFAOYSA-N
MW353.49 g/mol
LogP3.78
Rot. Bonds8

About N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine (PubChem CID 177382829) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine
PubChem CID177382829
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC NameN'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine
SMILESCN(CCN)Cc1ccccc1OCc1cccc(-c2nccs2)c1
InChIInChI=1S/C20H23N3OS/c1-23(11-9-21)14-18-6-2-3-8-19(18)24-15-16-5-4-7-17(13-16)20-22-10-12-25-20/h2-8,10,12-13H,9,11,14-15,21H2,1H3
InChIKeyMPASEZSHHLMDOX-UHFFFAOYSA-N
XLogP3.78
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine with MolForge

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Related Compounds

(2R)-1-(methylamino)-3-[methyl-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]amino]propan-2-ol
CID 177382837
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
2-[3,4-bis(phenylmethoxy)phenyl]-1,3-thiazole
CID 25131159
1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine
CID 52935326
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
(E)-N,6,6-trimethyl-N-[[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]hept-2-en-4-yn-1-amine
CID 19744424
2-[2-[[3-[3-(aminomethyl)phenyl]phenyl]methoxy]phenyl]acetic acid;ethanol
CID 144778131
N'-methyl-N-propan-2-yl-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]ethanimidamide
CID 123946042
2-(3-prop-2-enylphenyl)-1,3-thiazole
CID 141281428
2-(3-chlorophenyl)-1,3-thiazole
CID 23135786
N-[[2-(3-aminopropoxy)phenyl]methyl]-N-methylbutan-1-amine
CID 162214464
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine (CID 177382829) is N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine is CN(CCN)Cc1ccccc1OCc1cccc(-c2nccs2)c1.
What is the InChIKey of N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is MPASEZSHHLMDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-23(11-9-21)14-18-6-2-3-8-19(18)24-15-16-5-4-7-17(13-16)20-22-10-12-25-20/h2-8,10,12-13H,9,11,14-15,21H2,1H3.
What are the key properties of N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 353.49 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[2-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 177382829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).