N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide

C25H28N2O3S — CID 57411859

IUPACN-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide
SMILESCC(C)Oc1ccc(-c2ncc(Oc3ccc(C(C)NC(=O)C4CCC4)cc3)s2)cc1
InChIInChI=1S/C25H28N2O3S/c1-16(2)29-21-13-9-20(10-14-21)25-26-15-23(31-25)30-22-11-7-18(8-12-22)17(3)27-24(28)19-5-4-6-19/h7-17,19H,4-6H2,1-3H3,(H,27,28)
InChIKeyJQHKJKPAMUOHLK-UHFFFAOYSA-N
MW436.58 g/mol
LogP6.37
Rot. Bonds8

About N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide

N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide (PubChem CID 57411859) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide
PubChem CID57411859
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide
SMILESCC(C)Oc1ccc(-c2ncc(Oc3ccc(C(C)NC(=O)C4CCC4)cc3)s2)cc1
InChIInChI=1S/C25H28N2O3S/c1-16(2)29-21-13-9-20(10-14-21)25-26-15-23(31-25)30-22-11-7-18(8-12-22)17(3)27-24(28)19-5-4-6-19/h7-17,19H,4-6H2,1-3H3,(H,27,28)
InChIKeyJQHKJKPAMUOHLK-UHFFFAOYSA-N
XLogP6.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]cyclobutanecarboxamide
CID 2918368
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115
N-[1-[4-[[2-(2-ethyl-4-propan-2-yloxyphenoxy)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]acetamide
CID 57411276
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-methyl-1-[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]ethanamine
CID 62653566
2-(4-propan-2-yloxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 60916803
N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]cyclobutanecarboxamide
CID 34483284
2-[4-[1-[[(4Z)-cyclooct-4-ene-1-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 138029154
1-methyl-1-(3-methylcyclohexyl)-3-[1-(4-propan-2-yloxyphenyl)ethyl]urea
CID 112835878
3-amino-N-[1-(4-pyridin-4-ylphenyl)ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119895790
N-[1-[4-(aminomethyl)phenyl]ethyl]cyclopentanecarboxamide
CID 54936832
N-[1-[4-(2-methylpropyl)phenyl]ethyl]cyclopentanecarboxamide
CID 112791720

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide (CID 57411859) is N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide is CC(C)Oc1ccc(-c2ncc(Oc3ccc(C(C)NC(=O)C4CCC4)cc3)s2)cc1.
What is the InChIKey of N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide?
The InChIKey is JQHKJKPAMUOHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-16(2)29-21-13-9-20(10-14-21)25-26-15-23(31-25)30-22-11-7-18(8-12-22)17(3)27-24(28)19-5-4-6-19/h7-17,19H,4-6H2,1-3H3,(H,27,28).
What are the key properties of N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide?
N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide has a molecular weight of 436.58 g/mol, XLogP of 6.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[2-(4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]oxy]phenyl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 57411859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).