4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine

C15H11FN4O2S — CID 66768311

IUPAC4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESCOc1cc2sc(-c3c(N)n[nH]c3-c3ccco3)nc2cc1F
InChIInChI=1S/C15H11FN4O2S/c1-21-10-6-11-8(5-7(10)16)18-15(23-11)12-13(19-20-14(12)17)9-3-2-4-22-9/h2-6H,1H3,(H3,17,19,20)
InChIKeyDMBRXIUZLCCHIY-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.68
Rot. Bonds3

About 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine

4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine (PubChem CID 66768311) has the molecular formula C15H11FN4O2S and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine
PubChem CID66768311
Molecular FormulaC15H11FN4O2S
Molecular Weight330.34 g/mol
Exact Mass330.06
IUPAC Name4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESCOc1cc2sc(-c3c(N)n[nH]c3-c3ccco3)nc2cc1F
InChIInChI=1S/C15H11FN4O2S/c1-21-10-6-11-8(5-7(10)16)18-15(23-11)12-13(19-20-14(12)17)9-3-2-4-22-9/h2-6H,1H3,(H3,17,19,20)
InChIKeyDMBRXIUZLCCHIY-UHFFFAOYSA-N
XLogP3.68
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Benzothiazol-2-YL-5-furan-2-YL-2H-pyrazol-3-ylamine
CID 28285657
US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-5-(5-nitro-furan-2-yl)-2H-pyrazol-3-ylamine
CID 66768035
US8754233, 4-(5-Fluoro-6-methoxy-benzothiazol-2-yl)-5-isoxazol-5-yl-2H-pyrazol-3-ylamine
CID 66769897
5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole
CID 91378901
3-amino-5-[2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
CID 2958610
5-amino-3-{(Z)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl}-1H-pyrazole-4-carbonitrile
CID 5740038
3-amino-5-[(E)-2-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-1-cyanoethenyl]-1H-pyrazole-4-carbonitrile
CID 76072558
2-[3-amino-4-[(methylideneamino)methyl]-1H-pyrazol-5-yl]-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]propanenitrile
CID 123509086
4-(1,3-Benzothiazol-2-yl)-3-(furan-2-yl)-1-methylpyrazol-5-amine
CID 28283926
2-[5-Amino-4-(1,3-benzothiazol-2-yl)-3-(furan-2-yl)pyrazol-1-yl]ethanol
CID 28285688
1-(1,3-Benzothiazol-2-yl)-3-(furan-2-yl)pyrazol-5-amine
CID 64326720
(5-methyl-1,3-benzothiazol-2-yl)methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 166366546

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine (CID 66768311) is 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine is COc1cc2sc(-c3c(N)n[nH]c3-c3ccco3)nc2cc1F.
What is the InChIKey of 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is DMBRXIUZLCCHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2S/c1-21-10-6-11-8(5-7(10)16)18-15(23-11)12-13(19-20-14(12)17)9-3-2-4-22-9/h2-6H,1H3,(H3,17,19,20).
What are the key properties of 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine?
4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 330.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-methoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 66768311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).