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

C14H15FN2OS — CID 29278184

IUPAC3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)CCc2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2OS/c1-10-9-19-14(17-10)8-16-13(18)7-4-11-2-5-12(15)6-3-11/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18)
InChIKeyUEQKMSZTGLXQGB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.84
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 29278184) has the molecular formula C14H15FN2OS and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID29278184
Molecular FormulaC14H15FN2OS
Molecular Weight278.35 g/mol
Exact Mass278.09
IUPAC Name3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCc1csc(CNC(=O)CCc2ccc(F)cc2)n1
InChIInChI=1S/C14H15FN2OS/c1-10-9-19-14(17-10)8-16-13(18)7-4-11-2-5-12(15)6-3-11/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18)
InChIKeyUEQKMSZTGLXQGB-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 47048123
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 110739127
3-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110563
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110739218
2-[[3-(4-methylphenyl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380847
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 110739073
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51291453
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 47018997
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 61044456
2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 61043728
3-(4-fluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47729327

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide (CID 29278184) is 3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is Cc1csc(CNC(=O)CCc2ccc(F)cc2)n1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is UEQKMSZTGLXQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2OS/c1-10-9-19-14(17-10)8-16-13(18)7-4-11-2-5-12(15)6-3-11/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,18).
What are the key properties of 3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide?
3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 29278184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).