2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine

C14H15FN4OS — CID 87610433

IUPAC2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine
SMILESFCCNc1cnc(N2C=CN(Cc3ccccc3)O2)s1
InChIInChI=1S/C14H15FN4OS/c15-6-7-16-13-10-17-14(21-13)19-9-8-18(20-19)11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2
InChIKeyVVDPENKTIBOBHV-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.16
Rot. Bonds6

About 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine

2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine (PubChem CID 87610433) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine
PubChem CID87610433
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine
SMILESFCCNc1cnc(N2C=CN(Cc3ccccc3)O2)s1
InChIInChI=1S/C14H15FN4OS/c15-6-7-16-13-10-17-14(21-13)19-9-8-18(20-19)11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2
InChIKeyVVDPENKTIBOBHV-UHFFFAOYSA-N
XLogP3.16
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine (CID 87610433) is 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine is FCCNc1cnc(N2C=CN(Cc3ccccc3)O2)s1.
What is the InChIKey of 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine?
The InChIKey is VVDPENKTIBOBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c15-6-7-16-13-10-17-14(21-13)19-9-8-18(20-19)11-12-4-2-1-3-5-12/h1-5,8-10,16H,6-7,11H2.
What are the key properties of 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine?
2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine has a molecular weight of 306.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1,2,5-oxadiazol-2-yl)-N-(2-fluoroethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 87610433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).