4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine

C13H10ClFN4OS — CID 63034928

IUPAC4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc(Cc3ccc(F)cc3Cl)no2)cs1
InChIInChI=1S/C13H10ClFN4OS/c14-10-4-8(15)2-1-7(10)3-11-18-12(20-19-11)5-9-6-21-13(16)17-9/h1-2,4,6H,3,5H2,(H2,16,17)
InChIKeyQIIBPVWXIDWQCY-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.08
Rot. Bonds4

About 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine

4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 63034928) has the molecular formula C13H10ClFN4OS and a molecular weight of 324.77 g/mol. Its IUPAC name is 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID63034928
Molecular FormulaC13H10ClFN4OS
Molecular Weight324.77 g/mol
Exact Mass324.02
IUPAC Name4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nc(Cc3ccc(F)cc3Cl)no2)cs1
InChIInChI=1S/C13H10ClFN4OS/c14-10-4-8(15)2-1-7(10)3-11-18-12(20-19-11)5-9-6-21-13(16)17-9/h1-2,4,6H,3,5H2,(H2,16,17)
InChIKeyQIIBPVWXIDWQCY-UHFFFAOYSA-N
XLogP3.08
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (CID 63034928) is 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2nc(Cc3ccc(F)cc3Cl)no2)cs1.
What is the InChIKey of 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is QIIBPVWXIDWQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4OS/c14-10-4-8(15)2-1-7(10)3-11-18-12(20-19-11)5-9-6-21-13(16)17-9/h1-2,4,6H,3,5H2,(H2,16,17).
What are the key properties of 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 324.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 63034928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).