(4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine

C9H9FN2S — CID 165480744

IUPAC(4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine
SMILESCc1ccc2snc(CN)c2c1F
InChIInChI=1S/C9H9FN2S/c1-5-2-3-7-8(9(5)10)6(4-11)12-13-7/h2-3H,4,11H2,1H3
InChIKeyAHANOJKYOWHYPE-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.20
Rot. Bonds1

About (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine

(4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine (PubChem CID 165480744) has the molecular formula C9H9FN2S and a molecular weight of 196.25 g/mol. Its IUPAC name is (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine
PubChem CID165480744
Molecular FormulaC9H9FN2S
Molecular Weight196.25 g/mol
Exact Mass196.05
IUPAC Name(4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine
SMILESCc1ccc2snc(CN)c2c1F
InChIInChI=1S/C9H9FN2S/c1-5-2-3-7-8(9(5)10)6(4-11)12-13-7/h2-3H,4,11H2,1H3
InChIKeyAHANOJKYOWHYPE-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine?
The IUPAC name of (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine (CID 165480744) is (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine.
What is the SMILES notation for (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine?
The canonical SMILES for (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine is Cc1ccc2snc(CN)c2c1F.
What is the InChIKey of (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine?
The InChIKey is AHANOJKYOWHYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2S/c1-5-2-3-7-8(9(5)10)6(4-11)12-13-7/h2-3H,4,11H2,1H3.
What are the key properties of (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine?
(4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine has a molecular weight of 196.25 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-5-methyl-1,2-benzothiazol-3-yl)methanamine is sourced from PubChem (CID 165480744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).