1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol

C18H22ClN5O2S — CID 133494332

IUPAC1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CC(O)CN1CCOCC1)c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C18H22ClN5O2S/c1-22(10-15(25)11-23-6-8-26-9-7-23)18-21-24-12-16(20-17(24)27-18)13-2-4-14(19)5-3-13/h2-5,12,15,25H,6-11H2,1H3
InChIKeyIWKUPSQKAJTRFS-UHFFFAOYSA-N
MW407.93 g/mol
LogP2.24
Rot. Bonds6

About 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol

1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol (PubChem CID 133494332) has the molecular formula C18H22ClN5O2S and a molecular weight of 407.93 g/mol. Its IUPAC name is 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol
PubChem CID133494332
Molecular FormulaC18H22ClN5O2S
Molecular Weight407.93 g/mol
Exact Mass407.12
IUPAC Name1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol
SMILESCN(CC(O)CN1CCOCC1)c1nn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C18H22ClN5O2S/c1-22(10-15(25)11-23-6-8-26-9-7-23)18-21-24-12-16(20-17(24)27-18)13-2-4-14(19)5-3-13/h2-5,12,15,25H,6-11H2,1H3
InChIKeyIWKUPSQKAJTRFS-UHFFFAOYSA-N
XLogP2.24
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.93
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-1-cyclopropylethanol
CID 133494301
3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 133494111
3-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]amino]propane-1,2-diol
CID 133494882
6-(4-chlorophenyl)-2-propylimidazo[2,1-b][1,3,4]thiadiazole
CID 19209415
4-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-3-(5-methylfuran-2-yl)morpholine
CID 133494220
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]ethanamine
CID 28750647
N-(2-hydroxy-3-morpholin-4-ylpropyl)-N,5-dimethylthiophene-2-carboxamide
CID 111912435
6-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67221786
6-(4-chlorophenyl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209571
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
1-[5-(3-chloro-4-fluorophenyl)pyrazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 109411995
[2-[2-[ethyl(morpholin-4-yl)amino]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]methanol
CID 123710533

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol (CID 133494332) is 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol is CN(CC(O)CN1CCOCC1)c1nn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is IWKUPSQKAJTRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2S/c1-22(10-15(25)11-23-6-8-26-9-7-23)18-21-24-12-16(20-17(24)27-18)13-2-4-14(19)5-3-13/h2-5,12,15,25H,6-11H2,1H3.
What are the key properties of 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol?
1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 407.93 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 133494332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).