N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

C12H13F4N3O2S — CID 91788850

IUPACN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1csc2nc(CNC(=O)COCC(F)(F)C(F)F)cn12
InChIInChI=1S/C12H13F4N3O2S/c1-7-5-22-11-18-8(3-19(7)11)2-17-9(20)4-21-6-12(15,16)10(13)14/h3,5,10H,2,4,6H2,1H3,(H,17,20)
InChIKeyNAXYHPJHWXKRRZ-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.24
Rot. Bonds7

About N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide

N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (PubChem CID 91788850) has the molecular formula C12H13F4N3O2S and a molecular weight of 339.31 g/mol. Its IUPAC name is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.

Molecular Properties

Compound NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
PubChem CID91788850
Molecular FormulaC12H13F4N3O2S
Molecular Weight339.31 g/mol
Exact Mass339.07
IUPAC NameN-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
SMILESCc1csc2nc(CNC(=O)COCC(F)(F)C(F)F)cn12
InChIInChI=1S/C12H13F4N3O2S/c1-7-5-22-11-18-8(3-19(7)11)2-17-9(20)4-21-6-12(15,16)10(13)14/h3,5,10H,2,4,6H2,1H3,(H,17,20)
InChIKeyNAXYHPJHWXKRRZ-UHFFFAOYSA-N
XLogP2.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The IUPAC name of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide (CID 91788850) is N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide.
What is the SMILES notation for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The canonical SMILES for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is Cc1csc2nc(CNC(=O)COCC(F)(F)C(F)F)cn12.
What is the InChIKey of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
The InChIKey is NAXYHPJHWXKRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O2S/c1-7-5-22-11-18-8(3-19(7)11)2-17-9(20)4-21-6-12(15,16)10(13)14/h3,5,10H,2,4,6H2,1H3,(H,17,20).
What are the key properties of N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide?
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide has a molecular weight of 339.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide is sourced from PubChem (CID 91788850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).