N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide

C19H17FN2OS — CID 57415009

IUPACN-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCc1nc(NC(=O)CCc2ccccc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN2OS/c1-13-18(15-8-10-16(20)11-9-15)24-19(21-13)22-17(23)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12H2,1H3,(H,21,22,23)
InChIKeyQEUKXXXVXYDNQF-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.83
Rot. Bonds5

About N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide

N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide (PubChem CID 57415009) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
PubChem CID57415009
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC NameN-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
SMILESCc1nc(NC(=O)CCc2ccccc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C19H17FN2OS/c1-13-18(15-8-10-16(20)11-9-15)24-19(21-13)22-17(23)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12H2,1H3,(H,21,22,23)
InChIKeyQEUKXXXVXYDNQF-UHFFFAOYSA-N
XLogP4.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
2-(3-fluorophenyl)-N-[2-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 55851828
ethyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 2072961
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 43836967
N-(5-amino-4-methyl-1,3-thiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 82342481
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 55610699
prop-2-enyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 110441503
3-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]propanoic acid
CID 122569718
N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 682912
4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide (CID 57415009) is N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide is Cc1nc(NC(=O)CCc2ccccc2)sc1-c1ccc(F)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
The InChIKey is QEUKXXXVXYDNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-13-18(15-8-10-16(20)11-9-15)24-19(21-13)22-17(23)12-7-14-5-3-2-4-6-14/h2-6,8-11H,7,12H2,1H3,(H,21,22,23).
What are the key properties of N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide?
N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 57415009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).