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

C19H15FN2O3S — CID 110426329

IUPACN-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)cs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15FN2O3S/c20-13-3-1-12(2-4-13)15-10-26-19(22-15)8-7-18(23)21-14-5-6-16-17(9-14)25-11-24-16/h1-6,9-10H,7-8,11H2,(H,21,23)
InChIKeyXLKPRDZHTJYPLG-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.25
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 110426329) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID110426329
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCc1nc(-c2ccc(F)cc2)cs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H15FN2O3S/c20-13-3-1-12(2-4-13)15-10-26-19(22-15)8-7-18(23)21-14-5-6-16-17(9-14)25-11-24-16/h1-6,9-10H,7-8,11H2,(H,21,23)
InChIKeyXLKPRDZHTJYPLG-UHFFFAOYSA-N
XLogP4.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110426325
N-(1,3-benzodioxol-5-yl)-2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 647105
4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94283855
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide
CID 139920480
N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110410192
N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333343
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 112778325
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 24594736
methyl 3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanoate
CID 94276835
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 39705764
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 7254792

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide (CID 110426329) is N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCc1nc(-c2ccc(F)cc2)cs1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is XLKPRDZHTJYPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c20-13-3-1-12(2-4-13)15-10-26-19(22-15)8-7-18(23)21-14-5-6-16-17(9-14)25-11-24-16/h1-6,9-10H,7-8,11H2,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 370.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 110426329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).