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

C17H15N3O2S — CID 4109767

IUPAC3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCOc1ccccc1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H15N3O2S/c21-16(9-11-22-13-6-2-1-3-7-13)20-17-19-15(12-23-17)14-8-4-5-10-18-14/h1-8,10,12H,9,11H2,(H,19,20,21)
InChIKeyMMKUBYVERZCNLC-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.61
Rot. Bonds6

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

3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 4109767) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID4109767
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCOc1ccccc1)Nc1nc(-c2ccccn2)cs1
InChIInChI=1S/C17H15N3O2S/c21-16(9-11-22-13-6-2-1-3-7-13)20-17-19-15(12-23-17)14-8-4-5-10-18-14/h1-8,10,12H,9,11H2,(H,19,20,21)
InChIKeyMMKUBYVERZCNLC-UHFFFAOYSA-N
XLogP3.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 17404495
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-phenoxypropanamide
CID 30728939
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 19173206
3-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 41164524
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 41164474
3-[(2R)-oxolan-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 94090182
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 2487621

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 4109767) is 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is O=C(CCOc1ccccc1)Nc1nc(-c2ccccn2)cs1.
What is the InChIKey of 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is MMKUBYVERZCNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16(9-11-22-13-6-2-1-3-7-13)20-17-19-15(12-23-17)14-8-4-5-10-18-14/h1-8,10,12H,9,11H2,(H,19,20,21).
What are the key properties of 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 325.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4109767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).