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

C19H19N3O2S — CID 112500659

IUPAC3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCOc1ccccc1)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C19H19N3O2S/c23-18(9-12-24-17-6-2-1-3-7-17)21-11-8-16-14-25-19(22-16)15-5-4-10-20-13-15/h1-7,10,13-14H,8-9,11-12H2,(H,21,23)
InChIKeyVLWHFXKBMILBKC-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.33
Rot. Bonds8

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

3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 112500659) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID112500659
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CCOc1ccccc1)NCCc1csc(-c2cccnc2)n1
InChIInChI=1S/C19H19N3O2S/c23-18(9-12-24-17-6-2-1-3-7-17)21-11-8-16-14-25-19(22-16)15-5-4-10-20-13-15/h1-7,10,13-14H,8-9,11-12H2,(H,21,23)
InChIKeyVLWHFXKBMILBKC-UHFFFAOYSA-N
XLogP3.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenoxyethoxy)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110632997
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110285011
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110624951
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329851
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
6-amino-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 91765071

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 112500659) is 3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CCOc1ccccc1)NCCc1csc(-c2cccnc2)n1.
What is the InChIKey of 3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is VLWHFXKBMILBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-18(9-12-24-17-6-2-1-3-7-17)21-11-8-16-14-25-19(22-16)15-5-4-10-20-13-15/h1-7,10,13-14H,8-9,11-12H2,(H,21,23).
What are the key properties of 3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 353.45 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 112500659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).