4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one

C12H10FN3O2S — CID 91652420

IUPAC4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CCNc2nc3cc(F)ccc3o2)cs1
InChIInChI=1S/C12H10FN3O2S/c13-7-1-2-10-9(5-7)16-11(18-10)14-4-3-8-6-19-12(17)15-8/h1-2,5-6H,3-4H2,(H,14,16)(H,15,17)
InChIKeyBVULJNKNOUOPMM-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.37
Rot. Bonds4

About 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one

4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one (PubChem CID 91652420) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one
PubChem CID91652420
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC Name4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CCNc2nc3cc(F)ccc3o2)cs1
InChIInChI=1S/C12H10FN3O2S/c13-7-1-2-10-9(5-7)16-11(18-10)14-4-3-8-6-19-12(17)15-8/h1-2,5-6H,3-4H2,(H,14,16)(H,15,17)
InChIKeyBVULJNKNOUOPMM-UHFFFAOYSA-N
XLogP2.37
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one (CID 91652420) is 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CCNc2nc3cc(F)ccc3o2)cs1.
What is the InChIKey of 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one?
The InChIKey is BVULJNKNOUOPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c13-7-1-2-10-9(5-7)16-11(18-10)14-4-3-8-6-19-12(17)15-8/h1-2,5-6H,3-4H2,(H,14,16)(H,15,17).
What are the key properties of 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one?
4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one has a molecular weight of 279.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 91652420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).