2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C14H19N7OS — CID 56802079

IUPAC2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)CC1CCCN1c1cccnn1
InChIInChI=1S/C14H19N7OS/c1-20(9-13(22)17-14-19-16-10-23-14)8-11-4-3-7-21(11)12-5-2-6-15-18-12/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,19,22)
InChIKeyAOHGPSYJURHKHB-UHFFFAOYSA-N
MW333.42 g/mol
LogP0.87
Rot. Bonds6

About 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 56802079) has the molecular formula C14H19N7OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID56802079
Molecular FormulaC14H19N7OS
Molecular Weight333.42 g/mol
Exact Mass333.14
IUPAC Name2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCN(CC(=O)Nc1nncs1)CC1CCCN1c1cccnn1
InChIInChI=1S/C14H19N7OS/c1-20(9-13(22)17-14-19-16-10-23-14)8-11-4-3-7-21(11)12-5-2-6-15-18-12/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,19,22)
InChIKeyAOHGPSYJURHKHB-UHFFFAOYSA-N
XLogP0.87
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 56802079) is 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CN(CC(=O)Nc1nncs1)CC1CCCN1c1cccnn1.
What is the InChIKey of 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is AOHGPSYJURHKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7OS/c1-20(9-13(22)17-14-19-16-10-23-14)8-11-4-3-7-21(11)12-5-2-6-15-18-12/h2,5-6,10-11H,3-4,7-9H2,1H3,(H,17,19,22).
What are the key properties of 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 333.42 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 56802079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).