N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide

C14H11FN2OS2 — CID 2370084

IUPACN-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
SMILESCn1/c(=N/C(=O)Cc2cccs2)sc2cc(F)ccc21
InChIInChI=1S/C14H11FN2OS2/c1-17-11-5-4-9(15)7-12(11)20-14(17)16-13(18)8-10-3-2-6-19-10/h2-7H,8H2,1H3/b16-14-
InChIKeyCPEOTAYOXLARFF-PEZBUJJGSA-N
MW306.39 g/mol
LogP3.11
Rot. Bonds2

About N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide

N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide (PubChem CID 2370084) has the molecular formula C14H11FN2OS2 and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
PubChem CID2370084
Molecular FormulaC14H11FN2OS2
Molecular Weight306.39 g/mol
Exact Mass306.03
IUPAC NameN-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide
SMILESCn1/c(=N/C(=O)Cc2cccs2)sc2cc(F)ccc21
InChIInChI=1S/C14H11FN2OS2/c1-17-11-5-4-9(15)7-12(11)20-14(17)16-13(18)8-10-3-2-6-19-10/h2-7H,8H2,1H3/b16-14-
InChIKeyCPEOTAYOXLARFF-PEZBUJJGSA-N
XLogP3.11
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide (CID 2370084) is N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide is Cn1/c(=N/C(=O)Cc2cccs2)sc2cc(F)ccc21.
What is the InChIKey of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
The InChIKey is CPEOTAYOXLARFF-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11FN2OS2/c1-17-11-5-4-9(15)7-12(11)20-14(17)16-13(18)8-10-3-2-6-19-10/h2-7H,8H2,1H3/b16-14-.
What are the key properties of N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide?
N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide has a molecular weight of 306.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 2370084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).