7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine

C11H13FN2S — CID 170676583

IUPAC7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(C(C)C)ccc(F)c2s1
InChIInChI=1S/C11H13FN2S/c1-6(2)7-4-5-8(12)10-9(7)14-11(13-3)15-10/h4-6H,1-3H3,(H,13,14)
InChIKeyJXYSYZSOSSTSDI-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.60
Rot. Bonds2

About 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine

7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 170676583) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID170676583
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC Name7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(C(C)C)ccc(F)c2s1
InChIInChI=1S/C11H13FN2S/c1-6(2)7-4-5-8(12)10-9(7)14-11(13-3)15-10/h4-6H,1-3H3,(H,13,14)
InChIKeyJXYSYZSOSSTSDI-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine (CID 170676583) is 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine is CNc1nc2c(C(C)C)ccc(F)c2s1.
What is the InChIKey of 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is JXYSYZSOSSTSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-6(2)7-4-5-8(12)10-9(7)14-11(13-3)15-10/h4-6H,1-3H3,(H,13,14).
What are the key properties of 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 224.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 170676583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).