imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

C14H14N6OS — CID 110854940

IUPACimidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn2ncsc2n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H14N6OS/c21-13(11-9-20-14(17-11)22-10-16-20)19-7-5-18(6-8-19)12-3-1-2-4-15-12/h1-4,9-10H,5-8H2
InChIKeyDOYIQPSNTDMPNU-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.15
Rot. Bonds2

About imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone

imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 110854940) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID110854940
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Nameimidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cn2ncsc2n1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H14N6OS/c21-13(11-9-20-14(17-11)22-10-16-20)19-7-5-18(6-8-19)12-3-1-2-4-15-12/h1-4,9-10H,5-8H2
InChIKeyDOYIQPSNTDMPNU-UHFFFAOYSA-N
XLogP1.15
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone 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

[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3814800
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
[2-(N-methylanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310584
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119828205
(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(2-piperidin-1-ylpyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109298280
(5-morpholin-4-ylpyrazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109276621
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
(4-pyridin-2-ylpiperazin-1-yl)-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 18133672
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345747
N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide
CID 53158464

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 110854940) is imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cn2ncsc2n1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is DOYIQPSNTDMPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-13(11-9-20-14(17-11)22-10-16-20)19-7-5-18(6-8-19)12-3-1-2-4-15-12/h1-4,9-10H,5-8H2.
What are the key properties of imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone?
imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 314.37 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3,4]thiadiazol-6-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 110854940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).