N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide

C22H18FN3O2S — CID 162380437

IUPACN-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCOc1ccccc1)N(Cc1ccncc1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C22H18FN3O2S/c23-17-6-7-20-19(14-17)25-22(29-20)26(15-16-8-11-24-12-9-16)21(27)10-13-28-18-4-2-1-3-5-18/h1-9,11-12,14H,10,13,15H2
InChIKeyHDAQAYDGTFMWHV-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.83
Rot. Bonds7

About N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide

N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 162380437) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
PubChem CID162380437
Molecular FormulaC22H18FN3O2S
Molecular Weight407.47 g/mol
Exact Mass407.11
IUPAC NameN-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(CCOc1ccccc1)N(Cc1ccncc1)c1nc2cc(F)ccc2s1
InChIInChI=1S/C22H18FN3O2S/c23-17-6-7-20-19(14-17)25-22(29-20)26(15-16-8-11-24-12-9-16)21(27)10-13-28-18-4-2-1-3-5-18/h1-9,11-12,14H,10,13,15H2
InChIKeyHDAQAYDGTFMWHV-UHFFFAOYSA-N
XLogP4.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 162380507
N-(1,3-benzothiazol-2-yl)-N-[(4-fluorophenyl)methyl]-2-phenoxyacetamide
CID 163718990
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 40983620
N-(1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)propanamide
CID 18576666
N-(6-cyano-1,3-benzothiazol-2-yl)-3-(3-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 162380065
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 162380230
N-(1H-imidazol-5-ylmethyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 162380275
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)acetamide
CID 43966768
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 40508231
N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 8670797
N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 56501884
N-benzyl-4-(4-ethoxyphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 2449845

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide (CID 162380437) is N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide is O=C(CCOc1ccccc1)N(Cc1ccncc1)c1nc2cc(F)ccc2s1.
What is the InChIKey of N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is HDAQAYDGTFMWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2S/c23-17-6-7-20-19(14-17)25-22(29-20)26(15-16-8-11-24-12-9-16)21(27)10-13-28-18-4-2-1-3-5-18/h1-9,11-12,14H,10,13,15H2.
What are the key properties of N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide?
N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 407.47 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 162380437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).