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

C27H26N2O3S — CID 19197557

IUPAC2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)Oc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C27H26N2O3S/c1-18(2)31-23-15-11-22(12-16-23)25-17-33-27(28-25)29-26(30)19(3)32-24-13-9-21(10-14-24)20-7-5-4-6-8-20/h4-19H,1-3H3,(H,28,29,30)
InChIKeySCJUMXSNTKVPFW-UHFFFAOYSA-N
MW458.58 g/mol
LogP6.67
Rot. Bonds8

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

2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 19197557) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is 2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID19197557
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC Name2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCC(C)Oc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C27H26N2O3S/c1-18(2)31-23-15-11-22(12-16-23)25-17-33-27(28-25)29-26(30)19(3)32-24-13-9-21(10-14-24)20-7-5-4-6-8-20/h4-19H,1-3H3,(H,28,29,30)
InChIKeySCJUMXSNTKVPFW-UHFFFAOYSA-N
XLogP6.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
2-(4-tert-butylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19203500
(2R)-2-phenoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 7920239
(2R)-N-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9246541
(2S)-2-(3-methylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 2640444
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
(2R)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 51859086
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 19173213
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-(difluoromethoxy)benzoate
CID 42966355
2-(2-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19197509
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-methoxybenzoate
CID 2510397
2-(4-chlorophenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 4025035

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 19197557) is 2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide is CC(C)Oc1ccc(-c2csc(NC(=O)C(C)Oc3ccc(-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is SCJUMXSNTKVPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-18(2)31-23-15-11-22(12-16-23)25-17-33-27(28-25)29-26(30)19(3)32-24-13-9-21(10-14-24)20-7-5-4-6-8-20/h4-19H,1-3H3,(H,28,29,30).
What are the key properties of 2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide?
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 458.58 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 19197557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).