2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide

C18H19N7OS — CID 155510677

IUPAC2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N[C@@H]2CCN(c3nncs3)C2)nn1
InChIInChI=1S/C18H19N7OS/c26-17(10-13-4-2-1-3-5-13)21-16-7-6-15(22-23-16)20-14-8-9-25(11-14)18-24-19-12-27-18/h1-7,12,14H,8-11H2,(H,20,22)(H,21,23,26)/t14-/m1/s1
InChIKeyHGPIJJVCCFXACI-CQSZACIVSA-N
MW381.47 g/mol
LogP2.20
Rot. Bonds6

About 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide

2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide (PubChem CID 155510677) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
PubChem CID155510677
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(N[C@@H]2CCN(c3nncs3)C2)nn1
InChIInChI=1S/C18H19N7OS/c26-17(10-13-4-2-1-3-5-13)21-16-7-6-15(22-23-16)20-14-8-9-25(11-14)18-24-19-12-27-18/h1-7,12,14H,8-11H2,(H,20,22)(H,21,23,26)/t14-/m1/s1
InChIKeyHGPIJJVCCFXACI-CQSZACIVSA-N
XLogP2.20
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
The IUPAC name of 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide (CID 155510677) is 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide is O=C(Cc1ccccc1)Nc1ccc(N[C@@H]2CCN(c3nncs3)C2)nn1.
What is the InChIKey of 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
The InChIKey is HGPIJJVCCFXACI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N7OS/c26-17(10-13-4-2-1-3-5-13)21-16-7-6-15(22-23-16)20-14-8-9-25(11-14)18-24-19-12-27-18/h1-7,12,14H,8-11H2,(H,20,22)(H,21,23,26)/t14-/m1/s1.
What are the key properties of 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide?
2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide has a molecular weight of 381.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[6-[[(3R)-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]amino]pyridazin-3-yl]acetamide is sourced from PubChem (CID 155510677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).