N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride

C21H20ClN3O2S — CID 24736335

IUPACN-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride
SMILESCOc1cccc(CN(c2cccc(OC)c2)c2nc3cccnc3s2)c1.Cl
InChIInChI=1S/C21H19N3O2S.ClH/c1-25-17-8-3-6-15(12-17)14-24(16-7-4-9-18(13-16)26-2)21-23-19-10-5-11-22-20(19)27-21;/h3-13H,14H2,1-2H3;1H
InChIKeyMIPQWDVWOHSOEE-UHFFFAOYSA-N
MW413.93 g/mol
LogP5.47
Rot. Bonds6

About N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride

N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride (PubChem CID 24736335) has the molecular formula C21H20ClN3O2S and a molecular weight of 413.93 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride
PubChem CID24736335
Molecular FormulaC21H20ClN3O2S
Molecular Weight413.93 g/mol
Exact Mass413.10
IUPAC NameN-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride
SMILESCOc1cccc(CN(c2cccc(OC)c2)c2nc3cccnc3s2)c1.Cl
InChIInChI=1S/C21H19N3O2S.ClH/c1-25-17-8-3-6-15(12-17)14-24(16-7-4-9-18(13-16)26-2)21-23-19-10-5-11-22-20(19)27-21;/h3-13H,14H2,1-2H3;1H
InChIKeyMIPQWDVWOHSOEE-UHFFFAOYSA-N
XLogP5.47
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.93
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 24736356
4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
CID 113305036
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine
CID 167466011
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]-N-(quinolin-7-ylmethyl)aniline
CID 167466317
N,N-dichloro-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 89124498
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966667
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 55113856
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
N-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 79763885
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride?
The IUPAC name of N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride (CID 24736335) is N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride.
What is the SMILES notation for N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride?
The canonical SMILES for N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride is COc1cccc(CN(c2cccc(OC)c2)c2nc3cccnc3s2)c1.Cl.
What is the InChIKey of N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride?
The InChIKey is MIPQWDVWOHSOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S.ClH/c1-25-17-8-3-6-15(12-17)14-24(16-7-4-9-18(13-16)26-2)21-23-19-10-5-11-22-20(19)27-21;/h3-13H,14H2,1-2H3;1H.
What are the key properties of N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride?
N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride has a molecular weight of 413.93 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 24736335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).