imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

C12H13F3N4OS — CID 70782367

IUPACimidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn2ccsc2n1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H13F3N4OS/c13-12(14,15)8-17-1-3-18(4-2-17)10(20)9-7-19-5-6-21-11(19)16-9/h5-7H,1-4,8H2
InChIKeyRLJQYLUAMSWZDQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP1.72
Rot. Bonds2

About imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone

imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (PubChem CID 70782367) has the molecular formula C12H13F3N4OS and a molecular weight of 318.32 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
PubChem CID70782367
Molecular FormulaC12H13F3N4OS
Molecular Weight318.32 g/mol
Exact Mass318.08
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
SMILESO=C(c1cn2ccsc2n1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H13F3N4OS/c13-12(14,15)8-17-1-3-18(4-2-17)10(20)9-7-19-5-6-21-11(19)16-9/h5-7H,1-4,8H2
InChIKeyRLJQYLUAMSWZDQ-UHFFFAOYSA-N
XLogP1.72
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone (CID 70782367) is imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is O=C(c1cn2ccsc2n1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
The InChIKey is RLJQYLUAMSWZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4OS/c13-12(14,15)8-17-1-3-18(4-2-17)10(20)9-7-19-5-6-21-11(19)16-9/h5-7H,1-4,8H2.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone?
imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone has a molecular weight of 318.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70782367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).