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

C20H19FN2O3S — CID 32622827

IUPAC3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1OC
InChIInChI=1S/C20H19FN2O3S/c1-25-17-8-6-13(10-18(17)26-2)7-9-19(24)23-20-22-16(12-27-20)14-4-3-5-15(21)11-14/h3-6,8,10-12H,7,9H2,1-2H3,(H,22,23,24)
InChIKeyHXSFWVOILOTHHM-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.54
Rot. Bonds7

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

3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 32622827) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID32622827
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1OC
InChIInChI=1S/C20H19FN2O3S/c1-25-17-8-6-13(10-18(17)26-2)7-9-19(24)23-20-22-16(12-27-20)14-4-3-5-15(21)11-14/h3-6,8,10-12H,7,9H2,1-2H3,(H,22,23,24)
InChIKeyHXSFWVOILOTHHM-UHFFFAOYSA-N
XLogP4.54
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
3-(3,4-dimethoxyphenyl)-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220682
2-(5-acetyl-2-methoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 32622617
2-(2,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 36539541
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2342605
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 2091152
3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide (CID 32622827) is 3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide is COc1ccc(CCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is HXSFWVOILOTHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-25-17-8-6-13(10-18(17)26-2)7-9-19(24)23-20-22-16(12-27-20)14-4-3-5-15(21)11-14/h3-6,8,10-12H,7,9H2,1-2H3,(H,22,23,24).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 386.45 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 32622827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).