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

C21H16F3N3OS — CID 24736356

IUPACN-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOc1cccc(CN(c2cccc(C(F)(F)F)c2)c2nc3cccnc3s2)c1
InChIInChI=1S/C21H16F3N3OS/c1-28-17-8-2-5-14(11-17)13-27(16-7-3-6-15(12-16)21(22,23)24)20-26-18-9-4-10-25-19(18)29-20/h2-12H,13H2,1H3
InChIKeyJQUKZIQIVXQMON-UHFFFAOYSA-N
MW415.44 g/mol
LogP6.06
Rot. Bonds5

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

N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 24736356) has the molecular formula C21H16F3N3OS and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID24736356
Molecular FormulaC21H16F3N3OS
Molecular Weight415.44 g/mol
Exact Mass415.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOc1cccc(CN(c2cccc(C(F)(F)F)c2)c2nc3cccnc3s2)c1
InChIInChI=1S/C21H16F3N3OS/c1-28-17-8-2-5-14(11-17)13-27(16-7-3-6-15(12-16)21(22,23)24)20-26-18-9-4-10-25-19(18)29-20/h2-12H,13H2,1H3
InChIKeyJQUKZIQIVXQMON-UHFFFAOYSA-N
XLogP6.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride
CID 24736335
1-[[(S)-(3-methoxyphenyl)methylsulfinyl]methyl]-3-(trifluoromethyl)benzene
CID 94812111
4-methoxy-N-propyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621258
N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 121024897
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
3-[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-1-[(3-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 121264611
N,N-dimethyl-1-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 142071235
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpyrimidine-2,5-diamine
CID 61420405
N-butyl-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 154621321
N'-(1,3-benzothiazol-2-yl)-N'-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]ethane-1,2-diamine;hydrochloride
CID 44622569
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-[3-(trifluoromethyl)phenyl]anilino)phenyl]phenyl]-3-(trifluoromethyl)aniline
CID 15218997

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 24736356) is N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is COc1cccc(CN(c2cccc(C(F)(F)F)c2)c2nc3cccnc3s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is JQUKZIQIVXQMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3OS/c1-28-17-8-2-5-14(11-17)13-27(16-7-3-6-15(12-16)21(22,23)24)20-26-18-9-4-10-25-19(18)29-20/h2-12H,13H2,1H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 415.44 g/mol, XLogP of 6.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 24736356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).