4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole

C30H16F6N4OS2 — CID 23248330

IUPAC4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1sc(-c2ccc(Oc3ccc(-c4nc(-c5ccncc5)c(C(F)(F)F)s4)cc3)cc2)nc1-c1ccncc1
InChIInChI=1S/C30H16F6N4OS2/c31-29(32,33)25-23(17-9-13-37-14-10-17)39-27(42-25)19-1-5-21(6-2-19)41-22-7-3-20(4-8-22)28-40-24(18-11-15-38-16-12-18)26(43-28)30(34,35)36/h1-16H
InChIKeyJZWWMMLCVZUTAN-UHFFFAOYSA-N
MW626.61 g/mol
LogP9.89
Rot. Bonds6

About 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole

4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 23248330) has the molecular formula C30H16F6N4OS2 and a molecular weight of 626.61 g/mol. Its IUPAC name is 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole
PubChem CID23248330
Molecular FormulaC30H16F6N4OS2
Molecular Weight626.61 g/mol
Exact Mass626.07
IUPAC Name4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1sc(-c2ccc(Oc3ccc(-c4nc(-c5ccncc5)c(C(F)(F)F)s4)cc3)cc2)nc1-c1ccncc1
InChIInChI=1S/C30H16F6N4OS2/c31-29(32,33)25-23(17-9-13-37-14-10-17)39-27(42-25)19-1-5-21(6-2-19)41-22-7-3-20(4-8-22)28-40-24(18-11-15-38-16-12-18)26(43-28)30(34,35)36/h1-16H
InChIKeyJZWWMMLCVZUTAN-UHFFFAOYSA-N
XLogP9.89
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.61
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole with MolForge

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Related Compounds

2-[4-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanamine
CID 93216544
5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 14531637
3-pyridin-4-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52901562
4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
CID 110447711
1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541304
1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541265
4-[4-[6-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 169293640
4-[5-(1-aminoethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]phenol
CID 82542113
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole
CID 116891702
2-pyridin-4-yl-4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazole
CID 10433886
2-[4-(4-methoxyphenyl)-2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 46230235

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole (CID 23248330) is 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1sc(-c2ccc(Oc3ccc(-c4nc(-c5ccncc5)c(C(F)(F)F)s4)cc3)cc2)nc1-c1ccncc1.
What is the InChIKey of 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JZWWMMLCVZUTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F6N4OS2/c31-29(32,33)25-23(17-9-13-37-14-10-17)39-27(42-25)19-1-5-21(6-2-19)41-22-7-3-20(4-8-22)28-40-24(18-11-15-38-16-12-18)26(43-28)30(34,35)36/h1-16H.
What are the key properties of 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole?
4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 626.61 g/mol, XLogP of 9.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-2-[4-[4-[4-pyridin-4-yl-5-(trifluoromethyl)-1,3-thiazol-2-yl]phenoxy]phenyl]-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 23248330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).