2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide

C25H30N2O3S — CID 19203500

IUPAC2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)Oc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C25H30N2O3S/c1-16(2)29-20-11-7-18(8-12-20)22-15-31-24(26-22)27-23(28)17(3)30-21-13-9-19(10-14-21)25(4,5)6/h7-17H,1-6H3,(H,26,27,28)
InChIKeyAYAMDLPOCAGUKO-UHFFFAOYSA-N
MW438.59 g/mol
LogP6.30
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide

2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 19203500) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID19203500
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC Name2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)Oc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(C(C)(C)C)cc3)n2)cc1
InChIInChI=1S/C25H30N2O3S/c1-16(2)29-20-11-7-18(8-12-20)22-15-31-24(26-22)27-23(28)17(3)30-21-13-9-19(10-14-21)25(4,5)6/h7-17H,1-6H3,(H,26,27,28)
InChIKeyAYAMDLPOCAGUKO-UHFFFAOYSA-N
XLogP6.30
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethoxy)propanamide
CID 86949975
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035
4-propan-2-yloxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4118646
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-tert-butylbenzoate
CID 4689295
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-tert-butylbenzoate
CID 7891821
(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9246541
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19191692

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 19203500) is 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide is CC(C)Oc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(C(C)(C)C)cc3)n2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is AYAMDLPOCAGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-16(2)29-20-11-7-18(8-12-20)22-15-31-24(26-22)27-23(28)17(3)30-21-13-9-19(10-14-21)25(4,5)6/h7-17H,1-6H3,(H,26,27,28).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide?
2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 438.59 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 19203500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).