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

C17H21N5O2S — CID 123710533

IUPAC[2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
SMILESCCN(c1nn2cc(-c3ccccc3CO)nc2s1)N1CCOCC1
InChIInChI=1S/C17H21N5O2S/c1-2-22(20-7-9-24-10-8-20)17-19-21-11-15(18-16(21)25-17)14-6-4-3-5-13(14)12-23/h3-6,11,23H,2,7-10,12H2,1H3
InChIKeyRRABCYOKHCMXNU-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.02
Rot. Bonds5

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

[2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol (PubChem CID 123710533) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is [2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
PubChem CID123710533
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name[2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
SMILESCCN(c1nn2cc(-c3ccccc3CO)nc2s1)N1CCOCC1
InChIInChI=1S/C17H21N5O2S/c1-2-22(20-7-9-24-10-8-20)17-19-21-11-15(18-16(21)25-17)14-6-4-3-5-13(14)12-23/h3-6,11,23H,2,7-10,12H2,1H3
InChIKeyRRABCYOKHCMXNU-UHFFFAOYSA-N
XLogP2.02
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The IUPAC name of [2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol (CID 123710533) is [2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The canonical SMILES for [2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol is CCN(c1nn2cc(-c3ccccc3CO)nc2s1)N1CCOCC1.
What is the InChIKey of [2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
The InChIKey is RRABCYOKHCMXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-2-22(20-7-9-24-10-8-20)17-19-21-11-15(18-16(21)25-17)14-6-4-3-5-13(14)12-23/h3-6,11,23H,2,7-10,12H2,1H3.
What are the key properties of [2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol?
[2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol has a molecular weight of 359.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol is sourced from PubChem (CID 123710533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).