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

C11H13FN2S — CID 166533290

IUPAC5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCc1cc(F)c(C(C)C)c2nc(N)sc12
InChIInChI=1S/C11H13FN2S/c1-5(2)8-7(12)4-6(3)10-9(8)14-11(13)15-10/h4-5H,1-3H3,(H2,13,14)
InChIKeyGTVNHMFHVRDTRW-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.45
Rot. Bonds1

About 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine

5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 166533290) has the molecular formula C11H13FN2S and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID166533290
Molecular FormulaC11H13FN2S
Molecular Weight224.30 g/mol
Exact Mass224.08
IUPAC Name5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCc1cc(F)c(C(C)C)c2nc(N)sc12
InChIInChI=1S/C11H13FN2S/c1-5(2)8-7(12)4-6(3)10-9(8)14-11(13)15-10/h4-5H,1-3H3,(H2,13,14)
InChIKeyGTVNHMFHVRDTRW-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 164904591
4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 42281874
ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 170624259
6-ethyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-2-amine
CID 170676483
5,7-dimethyl-4-propan-2-yloxy-1,3-benzothiazol-2-amine
CID 82549825
7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 15050569
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 169182238
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 164903761
ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 170572306
4-methyl-7-propan-2-yl-6-(tritiooxydisulfanyl)-1,3-benzothiazol-2-amine
CID 59043012
5-[1-(2,6-difluoro-3-methylphenyl)ethyl]-4-methyl-1,3-thiazol-2-amine
CID 82819585
2-amino-4-chloro-5,7-di(propan-2-yl)-1,3-benzothiazol-6-ol
CID 14700255

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine (CID 166533290) is 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine is Cc1cc(F)c(C(C)C)c2nc(N)sc12.
What is the InChIKey of 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is GTVNHMFHVRDTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2S/c1-5(2)8-7(12)4-6(3)10-9(8)14-11(13)15-10/h4-5H,1-3H3,(H2,13,14).
What are the key properties of 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 224.30 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 166533290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).