2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol

C13H15N5OS — CID 133462654

IUPAC2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C13H15N5OS/c1-2-10(8-19)15-12-17-18-7-11(16-13(18)20-12)9-4-3-5-14-6-9/h3-7,10,19H,2,8H2,1H3,(H,15,17)
InChIKeyPCKROQATWRGMOZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.04
Rot. Bonds5

About 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol

2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol (PubChem CID 133462654) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol
PubChem CID133462654
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1nn2cc(-c3cccnc3)nc2s1
InChIInChI=1S/C13H15N5OS/c1-2-10(8-19)15-12-17-18-7-11(16-13(18)20-12)9-4-3-5-14-6-9/h3-7,10,19H,2,8H2,1H3,(H,15,17)
InChIKeyPCKROQATWRGMOZ-UHFFFAOYSA-N
XLogP2.04
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462554
2-(4-chloro-3-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]ethanol
CID 133463081
N-prop-2-ynyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133481591
N-(3,5-dimethylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462718
2-(4-fluorophenyl)-2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]acetamide
CID 133476321
N-[1-(3,4-difluorophenyl)-2-methoxyethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463161
2-[2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]cyclopentyl]ethanol
CID 133496512
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463703
ethyl 4-(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazine-1-carboxylate
CID 133462646
N-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 167931602
N-(2-ethoxyethyl)-N-methyl-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133463120

Frequently Asked Questions

What is the IUPAC name of 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol?
The IUPAC name of 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol (CID 133462654) is 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol is CCC(CO)Nc1nn2cc(-c3cccnc3)nc2s1.
What is the InChIKey of 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol?
The InChIKey is PCKROQATWRGMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-2-10(8-19)15-12-17-18-7-11(16-13(18)20-12)9-4-3-5-14-6-9/h3-7,10,19H,2,8H2,1H3,(H,15,17).
What are the key properties of 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol?
2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol has a molecular weight of 289.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]butan-1-ol is sourced from PubChem (CID 133462654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).