(2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide

C19H20FN7O2S — CID 118554580

IUPAC(2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN7O2S/c1-29-16(12-4-6-13(20)7-5-12)17(28)23-19-26-25-18(30-19)22-14-8-10-27(11-14)15-3-2-9-21-24-15/h2-7,9,14,16H,8,10-11H2,1H3,(H,22,25)(H,23,26,28)/t14-,16-/m1/s1
InChIKeyUQATWABEGVRFLC-GDBMZVCRSA-N
MW429.48 g/mol
LogP2.48
Rot. Bonds7

About (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide

(2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 118554580) has the molecular formula C19H20FN7O2S and a molecular weight of 429.48 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID118554580
Molecular FormulaC19H20FN7O2S
Molecular Weight429.48 g/mol
Exact Mass429.14
IUPAC Name(2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccc(F)cc1
InChIInChI=1S/C19H20FN7O2S/c1-29-16(12-4-6-13(20)7-5-12)17(28)23-19-26-25-18(30-19)22-14-8-10-27(11-14)15-3-2-9-21-24-15/h2-7,9,14,16H,8,10-11H2,1H3,(H,22,25)(H,23,26,28)/t14-,16-/m1/s1
InChIKeyUQATWABEGVRFLC-GDBMZVCRSA-N
XLogP2.48
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide (CID 118554580) is (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide is CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(c3cccnn3)C2)s1)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is UQATWABEGVRFLC-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H20FN7O2S/c1-29-16(12-4-6-13(20)7-5-12)17(28)23-19-26-25-18(30-19)22-14-8-10-27(11-14)15-3-2-9-21-24-15/h2-7,9,14,16H,8,10-11H2,1H3,(H,22,25)(H,23,26,28)/t14-,16-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide?
(2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 118554580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).