2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine

C26H25F3N4O2S — CID 59128898

IUPAC2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine
SMILESCOc1ccc(CNc2ccc(Nc3nc(C(F)(F)F)cs3)c(Oc3ccccc3C(C)C)n2)cc1
InChIInChI=1S/C26H25F3N4O2S/c1-16(2)19-6-4-5-7-21(19)35-24-20(31-25-32-22(15-36-25)26(27,28)29)12-13-23(33-24)30-14-17-8-10-18(34-3)11-9-17/h4-13,15-16H,14H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyJHXGMMVMXMDGDM-UHFFFAOYSA-N
MW514.57 g/mol
LogP7.84
Rot. Bonds9

About 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine

2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine (PubChem CID 59128898) has the molecular formula C26H25F3N4O2S and a molecular weight of 514.57 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine
PubChem CID59128898
Molecular FormulaC26H25F3N4O2S
Molecular Weight514.57 g/mol
Exact Mass514.17
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine
SMILESCOc1ccc(CNc2ccc(Nc3nc(C(F)(F)F)cs3)c(Oc3ccccc3C(C)C)n2)cc1
InChIInChI=1S/C26H25F3N4O2S/c1-16(2)19-6-4-5-7-21(19)35-24-20(31-25-32-22(15-36-25)26(27,28)29)12-13-23(33-24)30-14-17-8-10-18(34-3)11-9-17/h4-13,15-16H,14H2,1-3H3,(H,30,33)(H,31,32)
InChIKeyJHXGMMVMXMDGDM-UHFFFAOYSA-N
XLogP7.84
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.57
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133366043
N-[2-(2-bromophenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128894
N-(2-methylphenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 175598206
4-methoxy-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 656127
N-[5-bromo-2-(2-methylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143265581
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
5-N,5-N-dimethyl-2-(2-methylphenoxy)-3-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-3,5-diamine
CID 143265469
N-[(6-methoxynaphthalen-2-yl)methyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 100660094
N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 10728405
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine (CID 59128898) is 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine is COc1ccc(CNc2ccc(Nc3nc(C(F)(F)F)cs3)c(Oc3ccccc3C(C)C)n2)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine?
The InChIKey is JHXGMMVMXMDGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2S/c1-16(2)19-6-4-5-7-21(19)35-24-20(31-25-32-22(15-36-25)26(27,28)29)12-13-23(33-24)30-14-17-8-10-18(34-3)11-9-17/h4-13,15-16H,14H2,1-3H3,(H,30,33)(H,31,32).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine?
2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine has a molecular weight of 514.57 g/mol, XLogP of 7.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-6-(2-propan-2-ylphenoxy)-5-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2,5-diamine is sourced from PubChem (CID 59128898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).