N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H19N7S — CID 95338210

IUPACN,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N(C)C[C@H]3CCCN3c3cccnn3)sc2n1
InChIInChI=1S/C15H19N7S/c1-11-9-22-14(17-11)23-15(19-22)20(2)10-12-5-4-8-21(12)13-6-3-7-16-18-13/h3,6-7,9,12H,4-5,8,10H2,1-2H3/t12-/m1/s1
InChIKeyYFDVBJWDHZEDDK-GFCCVEGCSA-N
MW329.43 g/mol
LogP1.99
Rot. Bonds4

About N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 95338210) has the molecular formula C15H19N7S and a molecular weight of 329.43 g/mol. Its IUPAC name is N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID95338210
Molecular FormulaC15H19N7S
Molecular Weight329.43 g/mol
Exact Mass329.14
IUPAC NameN,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCc1cn2nc(N(C)C[C@H]3CCCN3c3cccnn3)sc2n1
InChIInChI=1S/C15H19N7S/c1-11-9-22-14(17-11)23-15(19-22)20(2)10-12-5-4-8-21(12)13-6-3-7-16-18-13/h3,6-7,9,12H,4-5,8,10H2,1-2H3/t12-/m1/s1
InChIKeyYFDVBJWDHZEDDK-GFCCVEGCSA-N
XLogP1.99
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-fluorophenyl)-N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 86902759
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 133281201
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 133281245
N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 95599819
N-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 86902703
6-chloro-4-N,5-N-dimethyl-4-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrimidine-4,5-diamine
CID 133464605
N-methyl-5-nitro-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-amine
CID 86902705
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methanamine
CID 95600239
N,4-dimethyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]thiadiazole-5-carboxamide
CID 100678045
(2R)-N,N-dimethyl-1-pyridazin-3-ylpyrrolidin-2-amine
CID 175192358
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778280
N-methyl-N-[(3-methylquinoxalin-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56781014

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 95338210) is N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Cc1cn2nc(N(C)C[C@H]3CCCN3c3cccnn3)sc2n1.
What is the InChIKey of N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is YFDVBJWDHZEDDK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N7S/c1-11-9-22-14(17-11)23-15(19-22)20(2)10-12-5-4-8-21(12)13-6-3-7-16-18-13/h3,6-7,9,12H,4-5,8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 329.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 95338210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).