N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide

C19H19N3O3S — CID 110632997

IUPACN-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2cccnc2)n1)NOCCOc1ccccc1
InChIInChI=1S/C19H19N3O3S/c23-18(22-25-12-11-24-17-6-2-1-3-7-17)9-8-16-14-26-19(21-16)15-5-4-10-20-13-15/h1-7,10,13-14H,8-9,11-12H2,(H,22,23)
InChIKeyZSQQSHOMHUIWQX-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.26
Rot. Bonds9

About N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide

N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110632997) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110632997
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2cccnc2)n1)NOCCOc1ccccc1
InChIInChI=1S/C19H19N3O3S/c23-18(22-25-12-11-24-17-6-2-1-3-7-17)9-8-16-14-26-19(21-16)15-5-4-10-20-13-15/h1-7,10,13-14H,8-9,11-12H2,(H,22,23)
InChIKeyZSQQSHOMHUIWQX-UHFFFAOYSA-N
XLogP3.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
N-(4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329943
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
methyl 2-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanoylamino]benzoate
CID 110424060
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110285011
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110408611
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
2-(4-propylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770974
N-(2-methoxy-5-methylphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110422461
benzyl 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8918530

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (CID 110632997) is N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2cccnc2)n1)NOCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is ZSQQSHOMHUIWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-18(22-25-12-11-24-17-6-2-1-3-7-17)9-8-16-14-26-19(21-16)15-5-4-10-20-13-15/h1-7,10,13-14H,8-9,11-12H2,(H,22,23).
What are the key properties of N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 369.45 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110632997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).