5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole

C15H10FN3O2S — CID 91378901

IUPAC5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole
SMILESCOc1cc2sc(-c3cn[nH]c3-c3ccco3)nc2cc1F
InChIInChI=1S/C15H10FN3O2S/c1-20-12-6-13-10(5-9(12)16)18-15(22-13)8-7-17-19-14(8)11-3-2-4-21-11/h2-7H,1H3,(H,17,19)
InChIKeyIWQBTLLLAKEZEA-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.09
Rot. Bonds3

About 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole

5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole (PubChem CID 91378901) has the molecular formula C15H10FN3O2S and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole
PubChem CID91378901
Molecular FormulaC15H10FN3O2S
Molecular Weight315.33 g/mol
Exact Mass315.05
IUPAC Name5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole
SMILESCOc1cc2sc(-c3cn[nH]c3-c3ccco3)nc2cc1F
InChIInChI=1S/C15H10FN3O2S/c1-20-12-6-13-10(5-9(12)16)18-15(22-13)8-7-17-19-14(8)11-3-2-4-21-11/h2-7H,1H3,(H,17,19)
InChIKeyIWQBTLLLAKEZEA-UHFFFAOYSA-N
XLogP4.09
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-(5-Fluoro-6-methoxybenzothiazol-2-YL)-5-furan-2-YL-2H-pyrazol-3-ylamine
CID 66768311
(Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 6023798
2-[(E)-2-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]ethenyl]-1,3-benzothiazole
CID 6002738
2-[3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrazol-5-yl]-1,3-thiazole
CID 141023326
2-(1,3-Benzothiazol-2-yl)-3-[3-(furan-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 3248234
2-(1,3-Benzothiazol-2-ylsulfanyl)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 3557183
2-[2-[3-(1-Benzofuran-2-yl)-1-phenylpyrazol-4-yl]ethenyl]-1,3-benzothiazole
CID 4070778
2-(1,3-Benzothiazol-2-yl)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 4157585
2-(1,3-Benzothiazol-2-YL)-3-(3-(2-furyl)-1-phenyl-1H-pyrazol-4-YL)acrylonitrile
CID 5772057
(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 5860088

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole?
The IUPAC name of 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole (CID 91378901) is 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole is COc1cc2sc(-c3cn[nH]c3-c3ccco3)nc2cc1F.
What is the InChIKey of 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole?
The InChIKey is IWQBTLLLAKEZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2S/c1-20-12-6-13-10(5-9(12)16)18-15(22-13)8-7-17-19-14(8)11-3-2-4-21-11/h2-7H,1H3,(H,17,19).
What are the key properties of 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole?
5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole has a molecular weight of 315.33 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[5-(furan-2-yl)-1H-pyrazol-4-yl]-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 91378901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).