N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine

C16H13FN4OS — CID 87944329

IUPACN-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1ccc(F)cc1Nc1nc2c(ccc3c2cnn3C)s1
InChIInChI=1S/C16H13FN4OS/c1-21-12-4-6-14-15(10(12)8-18-21)20-16(23-14)19-11-7-9(17)3-5-13(11)22-2/h3-8H,1-2H3,(H,19,20)
InChIKeyYSZPAZNPYQAZQL-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.07
Rot. Bonds3

About N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine

N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine (PubChem CID 87944329) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine
PubChem CID87944329
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine
SMILESCOc1ccc(F)cc1Nc1nc2c(ccc3c2cnn3C)s1
InChIInChI=1S/C16H13FN4OS/c1-21-12-4-6-14-15(10(12)8-18-21)20-16(23-14)19-11-7-9(17)3-5-13(11)22-2/h3-8H,1-2H3,(H,19,20)
InChIKeyYSZPAZNPYQAZQL-UHFFFAOYSA-N
XLogP4.07
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine (CID 87944329) is N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine is COc1ccc(F)cc1Nc1nc2c(ccc3c2cnn3C)s1.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine?
The InChIKey is YSZPAZNPYQAZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c1-21-12-4-6-14-15(10(12)8-18-21)20-16(23-14)19-11-7-9(17)3-5-13(11)22-2/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine?
N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine has a molecular weight of 328.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine is sourced from PubChem (CID 87944329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).