N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide

C16H11FN4O2S — CID 27378430

IUPACN-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)n(-c2nc3ccc(F)cc3s2)n1
InChIInChI=1S/C16H11FN4O2S/c1-9-7-14(19-15(22)12-3-2-6-23-12)21(20-9)16-18-11-5-4-10(17)8-13(11)24-16/h2-8H,1H3,(H,19,22)
InChIKeyJSTCDGRJIYMNTK-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.77
Rot. Bonds3

About N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide

N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 27378430) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
PubChem CID27378430
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC NameN-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)n(-c2nc3ccc(F)cc3s2)n1
InChIInChI=1S/C16H11FN4O2S/c1-9-7-14(19-15(22)12-3-2-6-23-12)21(20-9)16-18-11-5-4-10(17)8-13(11)24-16/h2-8H,1H3,(H,19,22)
InChIKeyJSTCDGRJIYMNTK-UHFFFAOYSA-N
XLogP3.77
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide (CID 27378430) is N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)n(-c2nc3ccc(F)cc3s2)n1.
What is the InChIKey of N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The InChIKey is JSTCDGRJIYMNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c1-9-7-14(19-15(22)12-3-2-6-23-12)21(20-9)16-18-11-5-4-10(17)8-13(11)24-16/h2-8H,1H3,(H,19,22).
What are the key properties of N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 27378430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).