7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine

C15H17FN2OS — CID 86806726

IUPAC7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)c1ncc(CN2CCOc3cc(F)ccc32)s1
InChIInChI=1S/C15H17FN2OS/c1-10(2)15-17-8-12(20-15)9-18-5-6-19-14-7-11(16)3-4-13(14)18/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyJNNXYFCQUIXRGM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.80
Rot. Bonds3

About 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine

7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine (PubChem CID 86806726) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine
PubChem CID86806726
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine
SMILESCC(C)c1ncc(CN2CCOc3cc(F)ccc32)s1
InChIInChI=1S/C15H17FN2OS/c1-10(2)15-17-8-12(20-15)9-18-5-6-19-14-7-11(16)3-4-13(14)18/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyJNNXYFCQUIXRGM-UHFFFAOYSA-N
XLogP3.80
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine (CID 86806726) is 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine is CC(C)c1ncc(CN2CCOc3cc(F)ccc32)s1.
What is the InChIKey of 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
The InChIKey is JNNXYFCQUIXRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-10(2)15-17-8-12(20-15)9-18-5-6-19-14-7-11(16)3-4-13(14)18/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine?
7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine has a molecular weight of 292.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 86806726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).