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

C11H14F3N3S — CID 55173396

IUPACN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1nc2scc(C)n2c1CNCCC(F)(F)F
InChIInChI=1S/C11H14F3N3S/c1-7-6-18-10-16-8(2)9(17(7)10)5-15-4-3-11(12,13)14/h6,15H,3-5H2,1-2H3
InChIKeyNMBPPRGCTCYBNQ-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.05
Rot. Bonds4

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

N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 55173396) has the molecular formula C11H14F3N3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID55173396
Molecular FormulaC11H14F3N3S
Molecular Weight277.31 g/mol
Exact Mass277.09
IUPAC NameN-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCc1nc2scc(C)n2c1CNCCC(F)(F)F
InChIInChI=1S/C11H14F3N3S/c1-7-6-18-10-16-8(2)9(17(7)10)5-15-4-3-11(12,13)14/h6,15H,3-5H2,1-2H3
InChIKeyNMBPPRGCTCYBNQ-UHFFFAOYSA-N
XLogP3.05
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.05
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]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 55173396) is N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine is Cc1nc2scc(C)n2c1CNCCC(F)(F)F.
What is the InChIKey of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is NMBPPRGCTCYBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3S/c1-7-6-18-10-16-8(2)9(17(7)10)5-15-4-3-11(12,13)14/h6,15H,3-5H2,1-2H3.
What are the key properties of N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine?
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 277.31 g/mol, XLogP of 3.05, 4 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]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 55173396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).