[2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol

C18H17N5OS — CID 123989900

IUPAC[2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
SMILESCCN(c1ccccn1)c1nn2cc(-c3ccccc3CO)nc2s1
InChIInChI=1S/C18H17N5OS/c1-2-22(16-9-5-6-10-19-16)18-21-23-11-15(20-17(23)25-18)14-8-4-3-7-13(14)12-24/h3-11,24H,2,12H2,1H3
InChIKeyPGMLOUZYDCFWAW-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.50
Rot. Bonds5

About [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol

[2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol (PubChem CID 123989900) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
PubChem CID123989900
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC Name[2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
SMILESCCN(c1ccccn1)c1nn2cc(-c3ccccc3CO)nc2s1
InChIInChI=1S/C18H17N5OS/c1-2-22(16-9-5-6-10-19-16)18-21-23-11-15(20-17(23)25-18)14-8-4-3-7-13(14)12-24/h3-11,24H,2,12H2,1H3
InChIKeyPGMLOUZYDCFWAW-UHFFFAOYSA-N
XLogP3.50
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The IUPAC name of [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol (CID 123989900) is [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The canonical SMILES for [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol is CCN(c1ccccn1)c1nn2cc(-c3ccccc3CO)nc2s1.
What is the InChIKey of [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The InChIKey is PGMLOUZYDCFWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-2-22(16-9-5-6-10-19-16)18-21-23-11-15(20-17(23)25-18)14-8-4-3-7-13(14)12-24/h3-11,24H,2,12H2,1H3.
What are the key properties of [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
[2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol has a molecular weight of 351.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[ethyl(pyridin-2-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol is sourced from PubChem (CID 123989900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).