N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide

C19H20N2O2S — CID 1095925

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1
InChIInChI=1S/C19H20N2O2S/c1-2-15-8-9-16(23-15)10-11-18(22)21-19-20-13-17(24-19)12-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3,(H,20,21,22)
InChIKeyADJGNSYBQAYCEK-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.46
Rot. Bonds7

About N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide (PubChem CID 1095925) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide
PubChem CID1095925
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1
InChIInChI=1S/C19H20N2O2S/c1-2-15-8-9-16(23-15)10-11-18(22)21-19-20-13-17(24-19)12-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3,(H,20,21,22)
InChIKeyADJGNSYBQAYCEK-UHFFFAOYSA-N
XLogP4.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-fluorophenyl)furan-2-yl]propanamide
CID 17015011
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 16648903
N-[5-[(4-butylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 18827867
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
N-(5-benzyl-1,3-thiazol-2-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 17459661
3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
CID 57414509
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 18827810
N-(5-benzyl-1,3-thiazol-2-yl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16599674
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 24596759
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]propanamide
CID 1163808

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide (CID 1095925) is N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide is CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3)s2)o1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide?
The InChIKey is ADJGNSYBQAYCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-15-8-9-16(23-15)10-11-18(22)21-19-20-13-17(24-19)12-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide has a molecular weight of 340.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-(5-ethylfuran-2-yl)propanamide is sourced from PubChem (CID 1095925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).