N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide

C27H26N2O2S — CID 108751483

IUPACN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H26N2O2S/c1-18(2)20-11-15-24(16-12-20)31-19(3)26(30)28-23-13-9-21(10-14-23)25-17-32-27(29-25)22-7-5-4-6-8-22/h4-19H,1-3H3,(H,28,30)
InChIKeyNTMFSDWGJRVQHJ-UHFFFAOYSA-N
MW442.58 g/mol
LogP7.01
Rot. Bonds7

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

N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108751483) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108751483
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC NameN-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H26N2O2S/c1-18(2)20-11-15-24(16-12-20)31-19(3)26(30)28-23-13-9-21(10-14-23)25-17-32-27(29-25)22-7-5-4-6-8-22/h4-19H,1-3H3,(H,28,30)
InChIKeyNTMFSDWGJRVQHJ-UHFFFAOYSA-N
XLogP7.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 108769760
2-(4-phenylphenoxy)-N-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19197557
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 26893877
2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747930
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 9310461
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108751483) is N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide is CC(Oc1ccc(C(C)C)cc1)C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is NTMFSDWGJRVQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S/c1-18(2)20-11-15-24(16-12-20)31-19(3)26(30)28-23-13-9-21(10-14-23)25-17-32-27(29-25)22-7-5-4-6-8-22/h4-19H,1-3H3,(H,28,30).
What are the key properties of N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 442.58 g/mol, XLogP of 7.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108751483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).