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

C13H9F3N4OS — CID 134584313

IUPAC4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)cs1
InChIInChI=1S/C13H9F3N4OS/c14-9-4-7(11-19-20-12(21-11)10(15)16)2-1-6(9)3-8-5-22-13(17)18-8/h1-2,4-5,10H,3H2,(H2,17,18)
InChIKeyMSAWMMQIGKOYEZ-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.44
Rot. Bonds4

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

4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 134584313) has the molecular formula C13H9F3N4OS and a molecular weight of 326.30 g/mol. Its IUPAC name is 4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine
PubChem CID134584313
Molecular FormulaC13H9F3N4OS
Molecular Weight326.30 g/mol
Exact Mass326.04
IUPAC Name4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)cs1
InChIInChI=1S/C13H9F3N4OS/c14-9-4-7(11-19-20-12(21-11)10(15)16)2-1-6(9)3-8-5-22-13(17)18-8/h1-2,4-5,10H,3H2,(H2,17,18)
InChIKeyMSAWMMQIGKOYEZ-UHFFFAOYSA-N
XLogP3.44
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine (CID 134584313) is 4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2ccc(-c3nnc(C(F)F)o3)cc2F)cs1.
What is the InChIKey of 4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is MSAWMMQIGKOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4OS/c14-9-4-7(11-19-20-12(21-11)10(15)16)2-1-6(9)3-8-5-22-13(17)18-8/h1-2,4-5,10H,3H2,(H2,17,18).
What are the key properties of 4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine?
4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 326.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 134584313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).