2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide

C23H26N2O2S — CID 19203493

IUPAC2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1sc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-15(27-19-13-11-18(12-14-19)23(3,4)5)21(26)25-22-24-20(16(2)28-22)17-9-7-6-8-10-17/h6-15H,1-5H3,(H,24,25,26)
InChIKeyNRAVQKSWDNETNT-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.82
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide

2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 19203493) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID19203493
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCc1sc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)nc1-c1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-15(27-19-13-11-18(12-14-19)23(3,4)5)21(26)25-22-24-20(16(2)28-22)17-9-7-6-8-10-17/h6-15H,1-5H3,(H,24,25,26)
InChIKeyNRAVQKSWDNETNT-UHFFFAOYSA-N
XLogP5.82
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 4812491
(2S)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 9094325
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
2-(4-methoxyphenoxy)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108747930
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
2-(4-tert-butylphenoxy)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)propanamide
CID 19214343
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
(2S)-N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 7747065
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
2-(4-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 108761142
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 46481508

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide (CID 19203493) is 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide is Cc1sc(NC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is NRAVQKSWDNETNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-15(27-19-13-11-18(12-14-19)23(3,4)5)21(26)25-22-24-20(16(2)28-22)17-9-7-6-8-10-17/h6-15H,1-5H3,(H,24,25,26).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide?
2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 394.54 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 19203493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).