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

C23H19N3O2S — CID 108748690

IUPAC3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H19N3O2S/c27-22(11-14-28-20-7-2-1-3-8-20)25-19-6-4-5-18(15-19)21-16-29-23(26-21)17-9-12-24-13-10-17/h1-10,12-13,15-16H,11,14H2,(H,25,27)
InChIKeyYTFWTAFAFXORKC-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.28
Rot. Bonds7

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

3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide (PubChem CID 108748690) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
PubChem CID108748690
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC Name3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
SMILESO=C(CCOc1ccccc1)Nc1cccc(-c2csc(-c3ccncc3)n2)c1
InChIInChI=1S/C23H19N3O2S/c27-22(11-14-28-20-7-2-1-3-8-20)25-19-6-4-5-18(15-19)21-16-29-23(26-21)17-9-12-24-13-10-17/h1-10,12-13,15-16H,11,14H2,(H,25,27)
InChIKeyYTFWTAFAFXORKC-UHFFFAOYSA-N
XLogP5.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675
2-phenoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]ethanesulfonamide
CID 122286241
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
4-naphthalen-2-yloxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108751489
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
2-(2-tert-butyl-4-methoxyphenoxy)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108770648
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
3,4,5-triethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770590
3-phenoxy-N-(5-phenyl-3-pyridinyl)propanamide
CID 110713724
2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 122286179
3-phenoxy-N-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]propanamide
CID 82240193

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The IUPAC name of 3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide (CID 108748690) is 3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide is O=C(CCOc1ccccc1)Nc1cccc(-c2csc(-c3ccncc3)n2)c1.
What is the InChIKey of 3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
The InChIKey is YTFWTAFAFXORKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c27-22(11-14-28-20-7-2-1-3-8-20)25-19-6-4-5-18(15-19)21-16-29-23(26-21)17-9-12-24-13-10-17/h1-10,12-13,15-16H,11,14H2,(H,25,27).
What are the key properties of 3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide?
3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide has a molecular weight of 401.49 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 108748690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).