N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide

C20H20N2O2S — CID 4270963

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-12-24-17-10-8-16(9-11-17)19(23)22-20-21-14-18(25-20)13-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,21,22,23)
InChIKeyLBNJZAFAKTYBJM-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.78
Rot. Bonds7

About N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide

N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide (PubChem CID 4270963) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
PubChem CID4270963
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-12-24-17-10-8-16(9-11-17)19(23)22-20-21-14-18(25-20)13-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,21,22,23)
InChIKeyLBNJZAFAKTYBJM-UHFFFAOYSA-N
XLogP4.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-4-hexoxybenzamide
CID 4591087
4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 5196825
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3410900
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
CID 4254438
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-4-phenoxybenzamide
CID 16651563
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
CID 4651810

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide (CID 4270963) is N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide?
The InChIKey is LBNJZAFAKTYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-2-12-24-17-10-8-16(9-11-17)19(23)22-20-21-14-18(25-20)13-15-6-4-3-5-7-15/h3-11,14H,2,12-13H2,1H3,(H,21,22,23).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide has a molecular weight of 352.46 g/mol, XLogP of 4.78, 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)-4-propoxybenzamide is sourced from PubChem (CID 4270963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).