3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine

C10H12F3N3S — CID 63226113

IUPAC3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nc2sccn2c1CNCCC(F)(F)F
InChIInChI=1S/C10H12F3N3S/c1-7-8(6-14-3-2-10(11,12)13)16-4-5-17-9(16)15-7/h4-5,14H,2-3,6H2,1H3
InChIKeyZMHVLWFKPFOAMN-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.75
Rot. Bonds4

About 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine

3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (PubChem CID 63226113) has the molecular formula C10H12F3N3S and a molecular weight of 263.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
PubChem CID63226113
Molecular FormulaC10H12F3N3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC Name3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine
SMILESCc1nc2sccn2c1CNCCC(F)(F)F
InChIInChI=1S/C10H12F3N3S/c1-7-8(6-14-3-2-10(11,12)13)16-4-5-17-9(16)15-7/h4-5,14H,2-3,6H2,1H3
InChIKeyZMHVLWFKPFOAMN-UHFFFAOYSA-N
XLogP2.75
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.75
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 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine (CID 63226113) is 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is Cc1nc2sccn2c1CNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
The InChIKey is ZMHVLWFKPFOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3S/c1-7-8(6-14-3-2-10(11,12)13)16-4-5-17-9(16)15-7/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine?
3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine has a molecular weight of 263.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63226113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).