N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine

C10H12F3N3S — CID 43755052

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1nc2scc(C)n2c1CNCC(F)(F)F
InChIInChI=1S/C10H12F3N3S/c1-6-4-17-9-15-7(2)8(16(6)9)3-14-5-10(11,12)13/h4,14H,3,5H2,1-2H3
InChIKeyLMRPOEBHZZKNFZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.66
Rot. Bonds3

About N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 43755052) has the molecular formula C10H12F3N3S and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID43755052
Molecular FormulaC10H12F3N3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1nc2scc(C)n2c1CNCC(F)(F)F
InChIInChI=1S/C10H12F3N3S/c1-6-4-17-9-15-7(2)8(16(6)9)3-14-5-10(11,12)13/h4,14H,3,5H2,1-2H3
InChIKeyLMRPOEBHZZKNFZ-UHFFFAOYSA-N
XLogP2.66
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine (CID 43755052) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine is Cc1nc2scc(C)n2c1CNCC(F)(F)F.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is LMRPOEBHZZKNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3S/c1-6-4-17-9-15-7(2)8(16(6)9)3-14-5-10(11,12)13/h4,14H,3,5H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 263.29 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43755052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).