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

C10H12F3N3OS — CID 82710800

IUPAC1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1nc2scc(C)n2c1CNOCC(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c1-6-4-18-9-15-7(2)8(16(6)9)3-14-17-5-10(11,12)13/h4,14H,3,5H2,1-2H3
InChIKeyWOHSWHMFWXVQNN-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.60
Rot. Bonds4

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

1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82710800) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82710800
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1nc2scc(C)n2c1CNOCC(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c1-6-4-18-9-15-7(2)8(16(6)9)3-14-17-5-10(11,12)13/h4,14H,3,5H2,1-2H3
InChIKeyWOHSWHMFWXVQNN-UHFFFAOYSA-N
XLogP2.60
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82710800) is 1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine is Cc1nc2scc(C)n2c1CNOCC(F)(F)F.
What is the InChIKey of 1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is WOHSWHMFWXVQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-6-4-18-9-15-7(2)8(16(6)9)3-14-17-5-10(11,12)13/h4,14H,3,5H2,1-2H3.
What are the key properties of 1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 279.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82710800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).