N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide

C15H18F3N3OS — CID 71968662

IUPACN-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cn2c(CCC(=O)N(CC(F)(F)F)C3CCC3)csc2n1
InChIInChI=1S/C15H18F3N3OS/c1-10-7-20-12(8-23-14(20)19-10)5-6-13(22)21(9-15(16,17)18)11-3-2-4-11/h7-8,11H,2-6,9H2,1H3
InChIKeyDWHJFONTDOPXNR-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.58
Rot. Bonds5

About N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide

N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 71968662) has the molecular formula C15H18F3N3OS and a molecular weight of 345.39 g/mol. Its IUPAC name is N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID71968662
Molecular FormulaC15H18F3N3OS
Molecular Weight345.39 g/mol
Exact Mass345.11
IUPAC NameN-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCc1cn2c(CCC(=O)N(CC(F)(F)F)C3CCC3)csc2n1
InChIInChI=1S/C15H18F3N3OS/c1-10-7-20-12(8-23-14(20)19-10)5-6-13(22)21(9-15(16,17)18)11-3-2-4-11/h7-8,11H,2-6,9H2,1H3
InChIKeyDWHJFONTDOPXNR-UHFFFAOYSA-N
XLogP3.58
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 71968662) is N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is Cc1cn2c(CCC(=O)N(CC(F)(F)F)C3CCC3)csc2n1.
What is the InChIKey of N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is DWHJFONTDOPXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3OS/c1-10-7-20-12(8-23-14(20)19-10)5-6-13(22)21(9-15(16,17)18)11-3-2-4-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 345.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 71968662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).