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

C21H19ClFN3O2S — CID 55614183

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClFN3O2S/c1-13(27)25-19(15-5-7-16(22)8-6-15)11-20(28)26-21-24-12-18(29-21)10-14-3-2-4-17(23)9-14/h2-9,12,19H,10-11H2,1H3,(H,25,27)(H,24,26,28)
InChIKeyVVWZORMTCOFTMB-UHFFFAOYSA-N
MW431.92 g/mol
LogP4.73
Rot. Bonds7

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

3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 55614183) has the molecular formula C21H19ClFN3O2S and a molecular weight of 431.92 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID55614183
Molecular FormulaC21H19ClFN3O2S
Molecular Weight431.92 g/mol
Exact Mass431.09
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClFN3O2S/c1-13(27)25-19(15-5-7-16(22)8-6-15)11-20(28)26-21-24-12-18(29-21)10-14-3-2-4-17(23)9-14/h2-9,12,19H,10-11H2,1H3,(H,25,27)(H,24,26,28)
InChIKeyVVWZORMTCOFTMB-UHFFFAOYSA-N
XLogP4.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.92
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide (CID 55614183) is 3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is CC(=O)NC(CC(=O)Nc1ncc(Cc2cccc(F)c2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is VVWZORMTCOFTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2S/c1-13(27)25-19(15-5-7-16(22)8-6-15)11-20(28)26-21-24-12-18(29-21)10-14-3-2-4-17(23)9-14/h2-9,12,19H,10-11H2,1H3,(H,25,27)(H,24,26,28).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 431.92 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 55614183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).