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

C13H9FN2O2S — CID 2159198

IUPACN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCn1/c(=N/C(=O)c2ccco2)sc2cccc(F)c21
InChIInChI=1S/C13H9FN2O2S/c1-16-11-8(14)4-2-6-10(11)19-13(16)15-12(17)9-5-3-7-18-9/h2-7H,1H3/b15-13-
InChIKeyRNZFZOUCXJGUTK-SQFISAMPSA-N
MW276.29 g/mol
LogP2.71
Rot. Bonds1

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

N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (PubChem CID 2159198) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
PubChem CID2159198
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC NameN-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESCn1/c(=N/C(=O)c2ccco2)sc2cccc(F)c21
InChIInChI=1S/C13H9FN2O2S/c1-16-11-8(14)4-2-6-10(11)19-13(16)15-12(17)9-5-3-7-18-9/h2-7H,1H3/b15-13-
InChIKeyRNZFZOUCXJGUTK-SQFISAMPSA-N
XLogP2.71
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (CID 2159198) is N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is Cn1/c(=N/C(=O)c2ccco2)sc2cccc(F)c21.
What is the InChIKey of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is RNZFZOUCXJGUTK-SQFISAMPSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c1-16-11-8(14)4-2-6-10(11)19-13(16)15-12(17)9-5-3-7-18-9/h2-7H,1H3/b15-13-.
What are the key properties of N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 2159198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).