4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine

C10H6FN3OS — CID 82106027

IUPAC4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(F)cc3ncoc23)cs1
InChIInChI=1S/C10H6FN3OS/c11-5-1-6(8-3-16-10(12)14-8)9-7(2-5)13-4-15-9/h1-4H,(H2,12,14)
InChIKeyDBELUXAFTACASX-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.67
Rot. Bonds1

About 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine

4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine (PubChem CID 82106027) has the molecular formula C10H6FN3OS and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine
PubChem CID82106027
Molecular FormulaC10H6FN3OS
Molecular Weight235.24 g/mol
Exact Mass235.02
IUPAC Name4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2cc(F)cc3ncoc23)cs1
InChIInChI=1S/C10H6FN3OS/c11-5-1-6(8-3-16-10(12)14-8)9-7(2-5)13-4-15-9/h1-4H,(H2,12,14)
InChIKeyDBELUXAFTACASX-UHFFFAOYSA-N
XLogP2.67
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-ethyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-amine
CID 82105996
7-bromo-5-fluoro-1,3-benzoxazole
CID 82095343
4-(2-ethoxy-5-fluorophenyl)-1,3-thiazol-2-amine
CID 5153390
5-fluoro-7-propan-2-yl-1,3-benzoxazole
CID 178038832
4-(2-chloro-4-fluoro-5-methylphenyl)-1,3-thiazol-2-amine
CID 80717940
4-[4-(dimethylamino)-3,5-difluorophenyl]-1,3-thiazol-2-amine
CID 121006255
4-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 58046583
4-(2-methylfuran-3-yl)-1,3-thiazol-2-amine
CID 112683901
4-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 81273589
4-[2,4-difluoro-6-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58026105
7-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-fluoro-1,3-dihydroindol-2-one
CID 82104898
4-(2-bromo-3-fluorophenyl)-1,3-thiazol-2-amine
CID 112562188

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine (CID 82106027) is 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine is Nc1nc(-c2cc(F)cc3ncoc23)cs1.
What is the InChIKey of 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine?
The InChIKey is DBELUXAFTACASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3OS/c11-5-1-6(8-3-16-10(12)14-8)9-7(2-5)13-4-15-9/h1-4H,(H2,12,14).
What are the key properties of 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine?
4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine has a molecular weight of 235.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1,3-benzoxazol-7-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82106027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).