5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine

C13H15FN2OS — CID 114241173

IUPAC5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCC1COCCC1Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C13H15FN2OS/c1-8-7-17-5-4-10(8)15-13-16-11-6-9(14)2-3-12(11)18-13/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,16)
InChIKeyBYDKVBKCSSOOMM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.27
Rot. Bonds2

About 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine

5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 114241173) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine
PubChem CID114241173
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCC1COCCC1Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C13H15FN2OS/c1-8-7-17-5-4-10(8)15-13-16-11-6-9(14)2-3-12(11)18-13/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,16)
InChIKeyBYDKVBKCSSOOMM-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine (CID 114241173) is 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine is CC1COCCC1Nc1nc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is BYDKVBKCSSOOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8-7-17-5-4-10(8)15-13-16-11-6-9(14)2-3-12(11)18-13/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114241173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).