2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

C21H16FN5O2S — CID 170186877

IUPAC2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cccnc1Oc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1F
InChIInChI=1S/C21H16FN5O2S/c1-13-4-2-9-24-19(13)29-17-7-6-14(10-16(17)22)11-18(28)25-21-27-26-20(30-21)15-5-3-8-23-12-15/h2-10,12H,11H2,1H3,(H,25,27,28)
InChIKeyIDFYMXSPZUIKFO-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.42
Rot. Bonds6

About 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide

2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 170186877) has the molecular formula C21H16FN5O2S and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID170186877
Molecular FormulaC21H16FN5O2S
Molecular Weight421.46 g/mol
Exact Mass421.10
IUPAC Name2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cccnc1Oc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1F
InChIInChI=1S/C21H16FN5O2S/c1-13-4-2-9-24-19(13)29-17-7-6-14(10-16(17)22)11-18(28)25-21-27-26-20(30-21)15-5-3-8-23-12-15/h2-10,12H,11H2,1H3,(H,25,27,28)
InChIKeyIDFYMXSPZUIKFO-UHFFFAOYSA-N
XLogP4.42
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[6-[[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
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N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
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2-(4-fluorophenoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1402105
N-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 91820682
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CID 118211419
N-[5-[1-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118211998
N-[6-[3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]piperidin-1-yl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
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2-(2-Fluoro-phenoxy)-N-(5-pyridin-4-yl-[1,3,4]thiadiazol-2-yl)-acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 170186877) is 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is Cc1cccnc1Oc1ccc(CC(=O)Nc2nnc(-c3cccnc3)s2)cc1F.
What is the InChIKey of 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is IDFYMXSPZUIKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2S/c1-13-4-2-9-24-19(13)29-17-7-6-14(10-16(17)22)11-18(28)25-21-27-26-20(30-21)15-5-3-8-23-12-15/h2-10,12H,11H2,1H3,(H,25,27,28).
What are the key properties of 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 421.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[(3-methyl-2-pyridinyl)oxy]phenyl]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 170186877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).