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

C20H19FN2O2S — CID 110332946

IUPAC3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2csc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-25-16-9-6-14(7-10-16)12-22-19(24)11-8-15-13-26-20(23-15)17-4-2-3-5-18(17)21/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,24)
InChIKeyMGKBBAGRUFCFFQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.21
Rot. Bonds7

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

3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 110332946) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID110332946
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2csc(-c3ccccc3F)n2)cc1
InChIInChI=1S/C20H19FN2O2S/c1-25-16-9-6-14(7-10-16)12-22-19(24)11-8-15-13-26-20(23-15)17-4-2-3-5-18(17)21/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,24)
InChIKeyMGKBBAGRUFCFFQ-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
CID 27376809
N-[(2-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110333023
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
N-cyclopentyl-3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]propanamide
CID 110332925
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333516
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-oxazol-4-yl)propanamide
CID 110679194
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031
N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)propanamide
CID 110388302

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 110332946) is 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCc2csc(-c3ccccc3F)n2)cc1.
What is the InChIKey of 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is MGKBBAGRUFCFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-25-16-9-6-14(7-10-16)12-22-19(24)11-8-15-13-26-20(23-15)17-4-2-3-5-18(17)21/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,24).
What are the key properties of 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 110332946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).