N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide

C19H18N2O2S — CID 46481508

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
SMILESCc1cnc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H18N2O2S/c1-13-12-20-19(24-13)21-18(22)14(2)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21,22)
InChIKeyVHNNXQVTPAWVJF-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.52
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide

N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide (PubChem CID 46481508) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
PubChem CID46481508
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide
SMILESCc1cnc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C19H18N2O2S/c1-13-12-20-19(24-13)21-18(22)14(2)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21,22)
InChIKeyVHNNXQVTPAWVJF-UHFFFAOYSA-N
XLogP4.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 4812532
(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2678069
2-(4-bromophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190941
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190948
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylphenoxy)propanamide
CID 17190939
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 45148025
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenoxy)propanamide
CID 19219501
N-phenyl-2-(4-phenylphenoxy)propanamide
CID 2969640
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
N-[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-2-phenoxypropanamide
CID 89279295
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
2-(4-methoxyphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134042653

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide (CID 46481508) is N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide is Cc1cnc(NC(=O)C(C)Oc2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is VHNNXQVTPAWVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-12-20-19(24-13)21-18(22)14(2)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12,14H,1-2H3,(H,20,21,22).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 338.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 46481508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).