N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride

C21H27Cl2N3OS — CID 177654835

IUPACN,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
SMILESCNCCN(C)CC1=CC=CC=C1OCC2=CC=C(C=C2)C3=NC=CS3.Cl.Cl
InChIInChI=1S/C21H25N3OS.2ClH/c1-22-11-13-24(2)15-19-5-3-4-6-20(19)25-16-17-7-9-18(10-8-17)21-23-12-14-26-21;;/h3-10,12,14,22H,11,13,15-16H2,1-2H3;2*1H
InChIKeyYISDCHAMFPKENV-UHFFFAOYSA-N
MW440.40 g/mol
LogP—
Rot. Bonds9

About N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride

N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride (PubChem CID 177654835) has the molecular formula C21H27Cl2N3OS and a molecular weight of 440.40 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
PubChem CID177654835
Molecular FormulaC21H27Cl2N3OS
Molecular Weight440.40 g/mol
Exact Mass439.13
IUPAC NameN,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride
SMILESCNCCN(C)CC1=CC=CC=C1OCC2=CC=C(C=C2)C3=NC=CS3.Cl.Cl
InChIInChI=1S/C21H25N3OS.2ClH/c1-22-11-13-24(2)15-19-5-3-4-6-20(19)25-16-17-7-9-18(10-8-17)21-23-12-14-26-21;;/h3-10,12,14,22H,11,13,15-16H2,1-2H3;2*1H
InChIKeyYISDCHAMFPKENV-UHFFFAOYSA-N
XLogP—
TPSA65.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity389

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride with MolForge

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Related Compounds

(2S,3S)-N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 9929728
2-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1,3-thiazole
CID 44362196
1-(2-(2-Ethoxyphenyl)-1-(thiazol-2-yl)ethyl)piperazine
CID 44414731
(2S)-1-(methylamino)-3-[5-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 155529011
(2R)-1-(methylamino)-3-[5-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 155529624
1-(methylamino)-3-[5-[3-(1,3-thiazol-2-yl)phenoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 155547731
1-(methylamino)-3-[5-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propan-2-ol
CID 155559000
N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 9907851
N-methyl-N-{3-[(2-methylprop-2-en-1-yl)oxy]benzyl}-1-(1,3-thiazol-2-yl)ethanamine
CID 46982420
(2-Methoxybenzyl)(pyridin-3-ylmethyl)(1,3-thiazol-2-ylmethyl)amine
CID 46983576
N-(2-methoxybenzyl)-2-{methyl[1-(1,3-thiazol-2-yl)ethyl]amino}acetamide
CID 50954926
N-[(3-propan-2-yloxyphenyl)methyl]-1-(1,3-thiazol-2-yl)-2-thiophen-3-ylethanamine
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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride (CID 177654835) is N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride is CNCCN(C)CC1=CC=CC=C1OCC2=CC=C(C=C2)C3=NC=CS3.Cl.Cl.
What is the InChIKey of N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
The InChIKey is YISDCHAMFPKENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS.2ClH/c1-22-11-13-24(2)15-19-5-3-4-6-20(19)25-16-17-7-9-18(10-8-17)21-23-12-14-26-21;;/h3-10,12,14,22H,11,13,15-16H2,1-2H3;2*1H.
What are the key properties of N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride?
N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride has a molecular weight of 440.40 g/mol, XLogP of not available, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[[2-[[4-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 177654835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).