N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride

C23H24ClFN4O2S — CID 44622780

IUPACN'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCOc1cc(CN(CCN)c2nc3ncccc3s2)ccc1OCc1ccccc1F.Cl
InChIInChI=1S/C23H23FN4O2S.ClH/c1-29-20-13-16(8-9-19(20)30-15-17-5-2-3-6-18(17)24)14-28(12-10-25)23-27-22-21(31-23)7-4-11-26-22;/h2-9,11,13H,10,12,14-15,25H2,1H3;1H
InChIKeyODZCDYMFSNVDQU-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.81
Rot. Bonds9

About N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride

N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 44622780) has the molecular formula C23H24ClFN4O2S and a molecular weight of 474.99 g/mol. Its IUPAC name is N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride
PubChem CID44622780
Molecular FormulaC23H24ClFN4O2S
Molecular Weight474.99 g/mol
Exact Mass474.13
IUPAC NameN'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCOc1cc(CN(CCN)c2nc3ncccc3s2)ccc1OCc1ccccc1F.Cl
InChIInChI=1S/C23H23FN4O2S.ClH/c1-29-20-13-16(8-9-19(20)30-15-17-5-2-3-6-18(17)24)14-28(12-10-25)23-27-22-21(31-23)7-4-11-26-22;/h2-9,11,13H,10,12,14-15,25H2,1H3;1H
InChIKeyODZCDYMFSNVDQU-UHFFFAOYSA-N
XLogP4.81
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

N'-(1,3-benzothiazol-2-yl)-N'-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine;hydrochloride
CID 68649807
N'-(1,3-benzothiazol-2-yl)-N'-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;hydrochloride
CID 44622569
N'-(5-chloro-1,3-benzothiazol-2-yl)-N'-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ethane-1,2-diamine
CID 44622649
N'-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N'-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]ethane-1,2-diamine;hydrochloride
CID 44622644
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087
1-(4-fluorophenyl)-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]methanamine;hydrochloride
CID 17292737
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982659
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208030
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-fluoro-N-(pyridin-3-ylmethyl)-1,3-benzothiazol-2-amine;formaldehyde
CID 162380479
2-[benzoyl-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]amino]ethyl N-tert-butylcarbamate
CID 90687715
N-[(2-chlorophenyl)methyl]-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine;hydrochloride
CID 17289780

Frequently Asked Questions

What is the IUPAC name of N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride (CID 44622780) is N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride is COc1cc(CN(CCN)c2nc3ncccc3s2)ccc1OCc1ccccc1F.Cl.
What is the InChIKey of N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is ODZCDYMFSNVDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S.ClH/c1-29-20-13-16(8-9-19(20)30-15-17-5-2-3-6-18(17)24)14-28(12-10-25)23-27-22-21(31-23)7-4-11-26-22;/h2-9,11,13H,10,12,14-15,25H2,1H3;1H.
What are the key properties of N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride?
N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 474.99 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-N'-([1,3]thiazolo[4,5-b]pyridin-2-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 44622780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).