(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol

C21H20FN5O3S — CID 142621221

IUPAC(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol
SMILESO[C@@H](c1cn(-c2ccc(OCC3(F)COC3)cc2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C21H20FN5O3S/c22-21(9-29-10-21)11-30-15-5-3-14(4-6-15)27-8-16(24-25-27)19(28)18-20(13-1-2-13)31-17-7-23-12-26(17)18/h3-8,12-13,19,28H,1-2,9-11H2/t19-/m0/s1
InChIKeyKISYNMMOLQDKEB-IBGZPJMESA-N
MW441.49 g/mol
LogP3.05
Rot. Bonds7

About (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol

(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol (PubChem CID 142621221) has the molecular formula C21H20FN5O3S and a molecular weight of 441.49 g/mol. Its IUPAC name is (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol
PubChem CID142621221
Molecular FormulaC21H20FN5O3S
Molecular Weight441.49 g/mol
Exact Mass441.13
IUPAC Name(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol
SMILESO[C@@H](c1cn(-c2ccc(OCC3(F)COC3)cc2)nn1)c1c(C2CC2)sc2cncn12
InChIInChI=1S/C21H20FN5O3S/c22-21(9-29-10-21)11-30-15-5-3-14(4-6-15)27-8-16(24-25-27)19(28)18-20(13-1-2-13)31-17-7-23-12-26(17)18/h3-8,12-13,19,28H,1-2,9-11H2/t19-/m0/s1
InChIKeyKISYNMMOLQDKEB-IBGZPJMESA-N
XLogP3.05
TPSA86.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol?
The IUPAC name of (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol (CID 142621221) is (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol.
What is the SMILES notation for (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol?
The canonical SMILES for (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol is O[C@@H](c1cn(-c2ccc(OCC3(F)COC3)cc2)nn1)c1c(C2CC2)sc2cncn12.
What is the InChIKey of (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol?
The InChIKey is KISYNMMOLQDKEB-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20FN5O3S/c22-21(9-29-10-21)11-30-15-5-3-14(4-6-15)27-8-16(24-25-27)19(28)18-20(13-1-2-13)31-17-7-23-12-26(17)18/h3-8,12-13,19,28H,1-2,9-11H2/t19-/m0/s1.
What are the key properties of (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol?
(R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol has a molecular weight of 441.49 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-[4-[(3-fluorooxetan-3-yl)methoxy]phenyl]triazol-4-yl]methanol is sourced from PubChem (CID 142621221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).