5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C15H10ClFN4OS — CID 58285647

IUPAC5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cnc3sc(NCc4ccco4)nn23)cc1Cl
InChIInChI=1S/C15H10ClFN4OS/c16-11-6-9(3-4-12(11)17)13-8-19-15-21(13)20-14(23-15)18-7-10-2-1-5-22-10/h1-6,8H,7H2,(H,18,20)
InChIKeyUHWRNKWIEGQBGH-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.46
Rot. Bonds4

About 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285647) has the molecular formula C15H10ClFN4OS and a molecular weight of 348.79 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285647
Molecular FormulaC15H10ClFN4OS
Molecular Weight348.79 g/mol
Exact Mass348.02
IUPAC Name5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFc1ccc(-c2cnc3sc(NCc4ccco4)nn23)cc1Cl
InChIInChI=1S/C15H10ClFN4OS/c16-11-6-9(3-4-12(11)17)13-8-19-15-21(13)20-14(23-15)18-7-10-2-1-5-22-10/h1-6,8H,7H2,(H,18,20)
InChIKeyUHWRNKWIEGQBGH-UHFFFAOYSA-N
XLogP4.46
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285647) is 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is Fc1ccc(-c2cnc3sc(NCc4ccco4)nn23)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is UHWRNKWIEGQBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4OS/c16-11-6-9(3-4-12(11)17)13-8-19-15-21(13)20-14(23-15)18-7-10-2-1-5-22-10/h1-6,8H,7H2,(H,18,20).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 348.79 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).