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

C10H10F2N2S — CID 164904591

IUPAC5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)c1c(F)cc(F)c2sc(N)nc12
InChIInChI=1S/C10H10F2N2S/c1-4(2)7-5(11)3-6(12)9-8(7)14-10(13)15-9/h3-4H,1-2H3,(H2,13,14)
InChIKeyWOKMVNIGFJGVHT-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.28
Rot. Bonds1

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

5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 164904591) has the molecular formula C10H10F2N2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID164904591
Molecular FormulaC10H10F2N2S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCC(C)c1c(F)cc(F)c2sc(N)nc12
InChIInChI=1S/C10H10F2N2S/c1-4(2)7-5(11)3-6(12)9-8(7)14-10(13)15-9/h3-4H,1-2H3,(H2,13,14)
InChIKeyWOKMVNIGFJGVHT-UHFFFAOYSA-N
XLogP3.28
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine (CID 164904591) is 5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine is CC(C)c1c(F)cc(F)c2sc(N)nc12.
What is the InChIKey of 5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is WOKMVNIGFJGVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2S/c1-4(2)7-5(11)3-6(12)9-8(7)14-10(13)15-9/h3-4H,1-2H3,(H2,13,14).
What are the key properties of 5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine?
5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 228.27 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 164904591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).