N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide

C19H16N2O3S — CID 110426325

IUPACN-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)cs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O3S/c22-18(20-14-6-7-16-17(10-14)24-12-23-16)8-9-19-21-15(11-25-19)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,20,22)
InChIKeyUFXOQDVOKJDBCU-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.11
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide

N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 110426325) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID110426325
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)cs1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O3S/c22-18(20-14-6-7-16-17(10-14)24-12-23-16)8-9-19-21-15(11-25-19)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,20,22)
InChIKeyUFXOQDVOKJDBCU-UHFFFAOYSA-N
XLogP4.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 110426329
N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332912
N-(1,3-benzodioxol-5-yl)-2-[(2-phenylacetyl)-[(4-phenyl-1,3-thiazol-2-yl)methyl]amino]butanamide
CID 43821308
4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butan-2-one
CID 94283855
N-(1,3-benzodioxol-5-yl)-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide
CID 53168620
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649722
N-(1,3-benzodioxol-5-yl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333343
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 110426325) is N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCc1nc(-c2ccccc2)cs1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is UFXOQDVOKJDBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(20-14-6-7-16-17(10-14)24-12-23-16)8-9-19-21-15(11-25-19)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 352.42 g/mol, XLogP of 4.11, 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-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110426325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).