N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine

C13H15N5S — CID 106834011

IUPACN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCc1cn2c(CNCc3cccnn3)c(C)nc2s1
InChIInChI=1S/C13H15N5S/c1-9-8-18-12(10(2)16-13(18)19-9)7-14-6-11-4-3-5-15-17-11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyXRTADMRAOQOANO-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.09
Rot. Bonds4

About N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine (PubChem CID 106834011) has the molecular formula C13H15N5S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
PubChem CID106834011
Molecular FormulaC13H15N5S
Molecular Weight273.36 g/mol
Exact Mass273.10
IUPAC NameN-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
SMILESCc1cn2c(CNCc3cccnn3)c(C)nc2s1
InChIInChI=1S/C13H15N5S/c1-9-8-18-12(10(2)16-13(18)19-9)7-14-6-11-4-3-5-15-17-11/h3-5,8,14H,6-7H2,1-2H3
InChIKeyXRTADMRAOQOANO-UHFFFAOYSA-N
XLogP2.09
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
The IUPAC name of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine (CID 106834011) is N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine.
What is the SMILES notation for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
The canonical SMILES for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine is Cc1cn2c(CNCc3cccnn3)c(C)nc2s1.
What is the InChIKey of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
The InChIKey is XRTADMRAOQOANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-9-8-18-12(10(2)16-13(18)19-9)7-14-6-11-4-3-5-15-17-11/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine?
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine has a molecular weight of 273.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine is sourced from PubChem (CID 106834011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).