[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

C11H12F3N3OS — CID 55010587

IUPAC[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(N(CC(F)(F)F)C2CC2)nc2sccn12
InChIInChI=1S/C11H12F3N3OS/c12-11(13,14)6-17(7-1-2-7)9-8(5-18)16-3-4-19-10(16)15-9/h3-4,7,18H,1-2,5-6H2
InChIKeyNNUDCOFOVXJXOS-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.42
Rot. Bonds4

About [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol

[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (PubChem CID 55010587) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
PubChem CID55010587
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
SMILESOCc1c(N(CC(F)(F)F)C2CC2)nc2sccn12
InChIInChI=1S/C11H12F3N3OS/c12-11(13,14)6-17(7-1-2-7)9-8(5-18)16-3-4-19-10(16)15-9/h3-4,7,18H,1-2,5-6H2
InChIKeyNNUDCOFOVXJXOS-UHFFFAOYSA-N
XLogP2.42
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The IUPAC name of [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol (CID 55010587) is [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol.
What is the SMILES notation for [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The canonical SMILES for [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is OCc1c(N(CC(F)(F)F)C2CC2)nc2sccn12.
What is the InChIKey of [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
The InChIKey is NNUDCOFOVXJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c12-11(13,14)6-17(7-1-2-7)9-8(5-18)16-3-4-19-10(16)15-9/h3-4,7,18H,1-2,5-6H2.
What are the key properties of [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol?
[6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol has a molecular weight of 291.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[cyclopropyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol is sourced from PubChem (CID 55010587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).