N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

C14H11FN2O2S — CID 2159206

IUPACN-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccco2)sc2cccc(F)c21
InChIInChI=1S/C14H11FN2O2S/c1-2-17-12-9(15)5-3-7-11(12)20-14(17)16-13(18)10-6-4-8-19-10/h3-8H,2H2,1H3/b16-14-
InChIKeyHSJJUDNCSVDULB-PEZBUJJGSA-N
MW290.32 g/mol
LogP3.20
Rot. Bonds2

About N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (PubChem CID 2159206) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
PubChem CID2159206
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC NameN-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCCn1/c(=N/C(=O)c2ccco2)sc2cccc(F)c21
InChIInChI=1S/C14H11FN2O2S/c1-2-17-12-9(15)5-3-7-11(12)20-14(17)16-13(18)10-6-4-8-19-10/h3-8H,2H2,1H3/b16-14-
InChIKeyHSJJUDNCSVDULB-PEZBUJJGSA-N
XLogP3.20
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (CID 2159206) is N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is CCn1/c(=N/C(=O)c2ccco2)sc2cccc(F)c21.
What is the InChIKey of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is HSJJUDNCSVDULB-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-2-17-12-9(15)5-3-7-11(12)20-14(17)16-13(18)10-6-4-8-19-10/h3-8H,2H2,1H3/b16-14-.
What are the key properties of N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4-fluoro-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 2159206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).