2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide

C17H15FN4O2S — CID 166329769

IUPAC2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1ccc(C(C)C(=O)Nc2nnc(-c3ccncc3)s2)cc1F
InChIInChI=1S/C17H15FN4O2S/c1-10(12-3-4-14(24-2)13(18)9-12)15(23)20-17-22-21-16(25-17)11-5-7-19-8-6-11/h3-10H,1-2H3,(H,20,22,23)
InChIKeyUHABQBZKQRBTFQ-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.49
Rot. Bonds5

About 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide

2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 166329769) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID166329769
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1ccc(C(C)C(=O)Nc2nnc(-c3ccncc3)s2)cc1F
InChIInChI=1S/C17H15FN4O2S/c1-10(12-3-4-14(24-2)13(18)9-12)15(23)20-17-22-21-16(25-17)11-5-7-19-8-6-11/h3-10H,1-2H3,(H,20,22,23)
InChIKeyUHABQBZKQRBTFQ-UHFFFAOYSA-N
XLogP3.49
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide (CID 166329769) is 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is COc1ccc(C(C)C(=O)Nc2nnc(-c3ccncc3)s2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is UHABQBZKQRBTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-10(12-3-4-14(24-2)13(18)9-12)15(23)20-17-22-21-16(25-17)11-5-7-19-8-6-11/h3-10H,1-2H3,(H,20,22,23).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide?
2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 358.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 166329769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).