4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide

C18H18N6O3S2 — CID 67220848

IUPAC4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(-c2cn3nc(NCCc4ccc(S(N)(=O)=O)cc4)sc3n2)cn1
InChIInChI=1S/C18H18N6O3S2/c1-27-16-7-4-13(10-21-16)15-11-24-18(22-15)28-17(23-24)20-9-8-12-2-5-14(6-3-12)29(19,25)26/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H2,19,25,26)
InChIKeyPUXCGVINJSFPLY-UHFFFAOYSA-N
MW430.52 g/mol
LogP2.16
Rot. Bonds7

About 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide

4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide (PubChem CID 67220848) has the molecular formula C18H18N6O3S2 and a molecular weight of 430.52 g/mol. Its IUPAC name is 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
PubChem CID67220848
Molecular FormulaC18H18N6O3S2
Molecular Weight430.52 g/mol
Exact Mass430.09
IUPAC Name4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
SMILESCOc1ccc(-c2cn3nc(NCCc4ccc(S(N)(=O)=O)cc4)sc3n2)cn1
InChIInChI=1S/C18H18N6O3S2/c1-27-16-7-4-13(10-21-16)15-11-24-18(22-15)28-17(23-24)20-9-8-12-2-5-14(6-3-12)29(19,25)26/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H2,19,25,26)
InChIKeyPUXCGVINJSFPLY-UHFFFAOYSA-N
XLogP2.16
TPSA124.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-[2-[[6-[2-(dimethylamino)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide
CID 67220617
N-[[4-(dimethylamino)phenyl]methyl]-6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221391
4-[2-(imidazo[2,1-b][1,3,4]thiadiazol-2-ylamino)ethyl]benzenesulfonamide
CID 58285847
4-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]cyclohexan-1-ol
CID 67221717
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
N-[(4-methoxyphenyl)methyl]-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67222167
4-[2-[(7-methylpurin-2-yl)amino]ethyl]benzenesulfonamide
CID 157016797
6-methyl-N-[(4-methylphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417217
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689
N-(2-methoxyethyl)-6-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221495
4-[2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]ethyl]benzenesulfonamide
CID 20912177
5-(6-methoxy-3-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221072

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide (CID 67220848) is 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide is COc1ccc(-c2cn3nc(NCCc4ccc(S(N)(=O)=O)cc4)sc3n2)cn1.
What is the InChIKey of 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is PUXCGVINJSFPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S2/c1-27-16-7-4-13(10-21-16)15-11-24-18(22-15)28-17(23-24)20-9-8-12-2-5-14(6-3-12)29(19,25)26/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H2,19,25,26).
What are the key properties of 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 430.52 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(6-methoxy-3-pyridinyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 67220848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).