N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide

C11H11FN2OS — CID 86085348

IUPACN-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2ccc(F)cc2s1
InChIInChI=1S/C11H11FN2OS/c1-6(13-7(2)15)11-14-9-4-3-8(12)5-10(9)16-11/h3-6H,1-2H3,(H,13,15)
InChIKeyCLBBOKYRCBGANT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.63
Rot. Bonds2

About N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide

N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide (PubChem CID 86085348) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide
PubChem CID86085348
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC NameN-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide
SMILESCC(=O)NC(C)c1nc2ccc(F)cc2s1
InChIInChI=1S/C11H11FN2OS/c1-6(13-7(2)15)11-14-9-4-3-8(12)5-10(9)16-11/h3-6H,1-2H3,(H,13,15)
InChIKeyCLBBOKYRCBGANT-UHFFFAOYSA-N
XLogP2.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benthiavalicarb isopropyl
CID 53297381
Benthiavalicarb
CID 20593234
2-Benzothiazolemethanamine
CID 350414
N-(2-Methyl-6-benzothiazolyl)acetamide
CID 596481
Bentaluron
CID 4408229
2-(1,3-Benzothiazol-2-yl)ethan-1-amine
CID 4962595
inhibitor 1 [Colombo et al., 2012]
CID 70689167
N-(2-Methyl-1,3-benzothiazol-5-yl)acetamide
CID 596204
N-2-Benzothiazolyl-N'-butylurea
CID 99178
2-(Piperidin-4-yl)-1,3-benzothiazole
CID 1477439
ST050344
CID 567790
6-Fluoro-alpha-methyl-2-benzothiazolemethanamine
CID 10313528

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The IUPAC name of N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide (CID 86085348) is N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide is CC(=O)NC(C)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide?
The InChIKey is CLBBOKYRCBGANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-6(13-7(2)15)11-14-9-4-3-8(12)5-10(9)16-11/h3-6H,1-2H3,(H,13,15).
What are the key properties of N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide?
N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 86085348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).