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

C13H18F3N3S — CID 115517287

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCc1nc2scc(C)n2c1CNCCCCC(F)(F)F
InChIInChI=1S/C13H18F3N3S/c1-9-8-20-12-18-10(2)11(19(9)12)7-17-6-4-3-5-13(14,15)16/h8,17H,3-7H2,1-2H3
InChIKeyBVFARKOGEAUFAS-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.83
Rot. Bonds6

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 115517287) has the molecular formula C13H18F3N3S and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
PubChem CID115517287
Molecular FormulaC13H18F3N3S
Molecular Weight305.37 g/mol
Exact Mass305.12
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine
SMILESCc1nc2scc(C)n2c1CNCCCCC(F)(F)F
InChIInChI=1S/C13H18F3N3S/c1-9-8-20-12-18-10(2)11(19(9)12)7-17-6-4-3-5-13(14,15)16/h8,17H,3-7H2,1-2H3
InChIKeyBVFARKOGEAUFAS-UHFFFAOYSA-N
XLogP3.83
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine (CID 115517287) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine is Cc1nc2scc(C)n2c1CNCCCCC(F)(F)F.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is BVFARKOGEAUFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3S/c1-9-8-20-12-18-10(2)11(19(9)12)7-17-6-4-3-5-13(14,15)16/h8,17H,3-7H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 305.37 g/mol, XLogP of 3.83, 6 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]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115517287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).