N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide

C20H20N6O2S — CID 58285519

IUPACN-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2cnc3sc(NCCc4ccccn4)nn23)cc1
InChIInChI=1S/C20H20N6O2S/c27-12-11-22-18(28)15-6-4-14(5-7-15)17-13-24-20-26(17)25-19(29-20)23-10-8-16-3-1-2-9-21-16/h1-7,9,13,27H,8,10-12H2,(H,22,28)(H,23,25)
InChIKeyHNIFHUWYICNIAR-UHFFFAOYSA-N
MW408.49 g/mol
LogP2.23
Rot. Bonds8

About N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide

N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (PubChem CID 58285519) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
PubChem CID58285519
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC NameN-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide
SMILESO=C(NCCO)c1ccc(-c2cnc3sc(NCCc4ccccn4)nn23)cc1
InChIInChI=1S/C20H20N6O2S/c27-12-11-22-18(28)15-6-4-14(5-7-15)17-13-24-20-26(17)25-19(29-20)23-10-8-16-3-1-2-9-21-16/h1-7,9,13,27H,8,10-12H2,(H,22,28)(H,23,25)
InChIKeyHNIFHUWYICNIAR-UHFFFAOYSA-N
XLogP2.23
TPSA104.44 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-(6-methoxy-3-pyridinyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221072
5-(3-ethyl-4,5-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285860
5-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 58285375
4-(2-propan-2-yltetrazol-5-yl)-N-(2-pyridin-2-ylethyl)benzamide
CID 71707786
2-(hydroxymethyl)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115116136
4-(furan-2-yl)-N-(3-pyridin-2-ylpropyl)benzamide
CID 91783448
4-(tert-butylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 31528348
2-methyl-N-(2-pyridin-2-ylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 126470552
5-pyridin-4-yl-N-(pyridin-4-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 126673142
5-bromo-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 175367392
1-ethyl-5-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 46171104
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide (CID 58285519) is N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is O=C(NCCO)c1ccc(-c2cnc3sc(NCCc4ccccn4)nn23)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
The InChIKey is HNIFHUWYICNIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c27-12-11-22-18(28)15-6-4-14(5-7-15)17-13-24-20-26(17)25-19(29-20)23-10-8-16-3-1-2-9-21-16/h1-7,9,13,27H,8,10-12H2,(H,22,28)(H,23,25).
What are the key properties of N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide?
N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide has a molecular weight of 408.49 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[2-(2-pyridin-2-ylethylamino)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]benzamide is sourced from PubChem (CID 58285519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).