N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide

C19H14FN5O2S2 — CID 90603755

IUPACN-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(Cc2nc(-c3ccncc3)no2)cs1)Nc1ccc(F)cc1
InChIInChI=1S/C19H14FN5O2S2/c20-13-1-3-14(4-2-13)22-16(26)11-29-19-23-15(10-28-19)9-17-24-18(25-27-17)12-5-7-21-8-6-12/h1-8,10H,9,11H2,(H,22,26)
InChIKeyXOYHTVSGCHPVPV-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.05
Rot. Bonds7

About N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide

N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 90603755) has the molecular formula C19H14FN5O2S2 and a molecular weight of 427.49 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID90603755
Molecular FormulaC19H14FN5O2S2
Molecular Weight427.49 g/mol
Exact Mass427.06
IUPAC NameN-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nc(Cc2nc(-c3ccncc3)no2)cs1)Nc1ccc(F)cc1
InChIInChI=1S/C19H14FN5O2S2/c20-13-1-3-14(4-2-13)22-16(26)11-29-19-23-15(10-28-19)9-17-24-18(25-27-17)12-5-7-21-8-6-12/h1-8,10H,9,11H2,(H,22,26)
InChIKeyXOYHTVSGCHPVPV-UHFFFAOYSA-N
XLogP4.05
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-chlorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 90603748
N-(4-fluorophenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4544119
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 16899145
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899127
N-(4-acetamidophenyl)-2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 25284491
2-[2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-phenylacetamide
CID 25284474
N-(4-fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520978
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34775628
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16899211
N-(3,4-dimethylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899482
2-(4-fluorophenyl)sulfanyl-N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
CID 90562554
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16899152

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 90603755) is N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nc(Cc2nc(-c3ccncc3)no2)cs1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is XOYHTVSGCHPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2S2/c20-13-1-3-14(4-2-13)22-16(26)11-29-19-23-15(10-28-19)9-17-24-18(25-27-17)12-5-7-21-8-6-12/h1-8,10H,9,11H2,(H,22,26).
What are the key properties of N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 427.49 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 90603755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).