N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide

C24H26N2O3S — CID 55721483

IUPACN-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H26N2O3S/c27-22(13-15-28-17-20-12-7-14-29-20)26-24-25-21(16-18-8-3-1-4-9-18)23(30-24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,25,26,27)
InChIKeyDYVPYGPVGGSNSK-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.93
Rot. Bonds9

About N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide

N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55721483) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55721483
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
SMILESO=C(CCOCC1CCCO1)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H26N2O3S/c27-22(13-15-28-17-20-12-7-14-29-20)26-24-25-21(16-18-8-3-1-4-9-18)23(30-24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,25,26,27)
InChIKeyDYVPYGPVGGSNSK-UHFFFAOYSA-N
XLogP4.93
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-2-ylmethoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide
CID 55719245
N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 78875278
N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 71985293
3-(oxolan-2-ylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 87018859
N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride
CID 120603852
1-(5-benzyl-1,3-thiazol-2-yl)-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 99837165
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(oxolan-2-ylmethoxy)propanamide
CID 55754437
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
CID 119224790
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
N-benzyl-3-(oxolan-2-ylmethoxy)-N-propylpropanamide
CID 78875889

Frequently Asked Questions

What is the IUPAC name of N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide (CID 55721483) is N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide is O=C(CCOCC1CCCO1)Nc1nc(Cc2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is DYVPYGPVGGSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c27-22(13-15-28-17-20-12-7-14-29-20)26-24-25-21(16-18-8-3-1-4-9-18)23(30-24)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,25,26,27).
What are the key properties of N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide?
N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 422.55 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzyl-5-phenyl-1,3-thiazol-2-yl)-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55721483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).