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

C15H21N7OS — CID 95600282

IUPAC2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN(C)C[C@H]2CCCN2c2cccnn2)s1
InChIInChI=1S/C15H21N7OS/c1-11-18-20-15(24-11)17-14(23)10-21(2)9-12-5-4-8-22(12)13-6-3-7-16-19-13/h3,6-7,12H,4-5,8-10H2,1-2H3,(H,17,20,23)/t12-/m1/s1
InChIKeyCACNPIRFIJJKEA-GFCCVEGCSA-N
MW347.45 g/mol
LogP1.18
Rot. Bonds6

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

2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 95600282) has the molecular formula C15H21N7OS and a molecular weight of 347.45 g/mol. Its IUPAC name is 2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID95600282
Molecular FormulaC15H21N7OS
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC Name2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1nnc(NC(=O)CN(C)C[C@H]2CCCN2c2cccnn2)s1
InChIInChI=1S/C15H21N7OS/c1-11-18-20-15(24-11)17-14(23)10-21(2)9-12-5-4-8-22(12)13-6-3-7-16-19-13/h3,6-7,12H,4-5,8-10H2,1-2H3,(H,17,20,23)/t12-/m1/s1
InChIKeyCACNPIRFIJJKEA-GFCCVEGCSA-N
XLogP1.18
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CID 95600282) is 2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is Cc1nnc(NC(=O)CN(C)C[C@H]2CCCN2c2cccnn2)s1.
What is the InChIKey of 2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CACNPIRFIJJKEA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N7OS/c1-11-18-20-15(24-11)17-14(23)10-21(2)9-12-5-4-8-22(12)13-6-3-7-16-19-13/h3,6-7,12H,4-5,8-10H2,1-2H3,(H,17,20,23)/t12-/m1/s1.
What are the key properties of 2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 347.45 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 95600282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).