N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide

C12H11FN2O2S — CID 146022316

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2nc3ccc(F)cc3s2)COC1
InChIInChI=1S/C12H11FN2O2S/c1-12(5-17-6-12)10(16)15-11-14-8-3-2-7(13)4-9(8)18-11/h2-4H,5-6H2,1H3,(H,14,15,16)
InChIKeyLLQZKYUANPZCBD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.41
Rot. Bonds2

About N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide (PubChem CID 146022316) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide
PubChem CID146022316
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide
SMILESCC1(C(=O)Nc2nc3ccc(F)cc3s2)COC1
InChIInChI=1S/C12H11FN2O2S/c1-12(5-17-6-12)10(16)15-11-14-8-3-2-7(13)4-9(8)18-11/h2-4H,5-6H2,1H3,(H,14,15,16)
InChIKeyLLQZKYUANPZCBD-UHFFFAOYSA-N
XLogP2.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide (CID 146022316) is N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide is CC1(C(=O)Nc2nc3ccc(F)cc3s2)COC1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide?
The InChIKey is LLQZKYUANPZCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-12(5-17-6-12)10(16)15-11-14-8-3-2-7(13)4-9(8)18-11/h2-4H,5-6H2,1H3,(H,14,15,16).
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 146022316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).