N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide

C27H22F3N5O2S — CID 156801098

IUPACN-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccnnc2)n1)Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1C1=CCNCC1
InChIInChI=1S/C27H22F3N5O2S/c28-27(29,30)25-22(37-20-4-2-1-3-5-20)7-6-21(24(25)17-8-11-31-12-9-17)35-23(36)14-19-16-38-26(34-19)18-10-13-32-33-15-18/h1-8,10,13,15-16,31H,9,11-12,14H2,(H,35,36)
InChIKeyPIBUMNUJLYKLCZ-UHFFFAOYSA-N
MW537.57 g/mol
LogP5.97
Rot. Bonds7

About N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide

N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 156801098) has the molecular formula C27H22F3N5O2S and a molecular weight of 537.57 g/mol. Its IUPAC name is N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide
PubChem CID156801098
Molecular FormulaC27H22F3N5O2S
Molecular Weight537.57 g/mol
Exact Mass537.14
IUPAC NameN-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccnnc2)n1)Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1C1=CCNCC1
InChIInChI=1S/C27H22F3N5O2S/c28-27(29,30)25-22(37-20-4-2-1-3-5-20)7-6-21(24(25)17-8-11-31-12-9-17)35-23(36)14-19-16-38-26(34-19)18-10-13-32-33-15-18/h1-8,10,13,15-16,31H,9,11-12,14H2,(H,35,36)
InChIKeyPIBUMNUJLYKLCZ-UHFFFAOYSA-N
XLogP5.97
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.57
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(3S)-3-(aminomethyl)piperidin-1-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide
CID 156801096
N-[2-[(3R)-3-(aminomethyl)piperidin-1-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide
CID 156801112
N-[4-(2-fluorophenoxy)-2-[(3S)-3-(methylaminomethyl)piperidin-1-yl]-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 156801122
N-[2-[(3S)-3-(aminomethyl)-4-methylpiperazin-1-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide
CID 167171006
N-[2-[(3S)-3-(aminomethyl)piperidin-1-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide
CID 156540667
N-[2-[(8R,8aR)-8-amino-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-phenoxy-3-(trifluoromethyl)phenyl]-2-pyridazin-4-yl-1,3-thiazole-4-carboxamide
CID 167171123
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35204280
N-(2-iodophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 55386459
N-naphthalen-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204706
N-(2-iodophenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31701324
tert-butyl N-[4-fluoro-2-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]carbamate
CID 56571820
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55507894

Frequently Asked Questions

What is the IUPAC name of N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide (CID 156801098) is N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccnnc2)n1)Nc1ccc(Oc2ccccc2)c(C(F)(F)F)c1C1=CCNCC1.
What is the InChIKey of N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PIBUMNUJLYKLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N5O2S/c28-27(29,30)25-22(37-20-4-2-1-3-5-20)7-6-21(24(25)17-8-11-31-12-9-17)35-23(36)14-19-16-38-26(34-19)18-10-13-32-33-15-18/h1-8,10,13,15-16,31H,9,11-12,14H2,(H,35,36).
What are the key properties of N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide?
N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 537.57 g/mol, XLogP of 5.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-phenoxy-2-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]-2-(2-pyridazin-4-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 156801098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).