5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane

C12H18F2N2S — CID 169182238

IUPAC5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
SMILESCC.CC.Cc1c(F)cc(F)c2sc(N)nc12
InChIInChI=1S/C8H6F2N2S.2C2H6/c1-3-4(9)2-5(10)7-6(3)12-8(11)13-7;2*1-2/h2H,1H3,(H2,11,12);2*1-2H3
InChIKeyPRFNCXRBVJNWHR-UHFFFAOYSA-N
MW260.35 g/mol
LogP4.52
Rot. Bonds

About 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane

5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane (PubChem CID 169182238) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane.

Molecular Properties

Compound Name5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
PubChem CID169182238
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
SMILESCC.CC.Cc1c(F)cc(F)c2sc(N)nc12
InChIInChI=1S/C8H6F2N2S.2C2H6/c1-3-4(9)2-5(10)7-6(3)12-8(11)13-7;2*1-2/h2H,1H3,(H2,11,12);2*1-2H3
InChIKeyPRFNCXRBVJNWHR-UHFFFAOYSA-N
XLogP4.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane
CID 164903761
5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 164904591
ethane;7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 170572306
7-fluoro-4-methyl-1,3-benzothiazol-2-amine
CID 15050569
ethane;4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 170624259
4-fluoro-7-methyl-1,3-benzothiazol-2-amine
CID 42281874
5-fluoro-7-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 166533290
ethane;4-fluoro-7-methylphosphanyl-1,3-benzothiazol-2-amine
CID 176951023
CID 89301281
CID 89301281
5-bromo-7-fluoro-1,3-benzothiazol-2-amine
CID 126673815
ethane;6-ethyl-4-fluoro-1,3-benzothiazol-2-amine
CID 143324079
ethane;7-fluoro-8-methylquinoxalin-5-amine
CID 177323268

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane?
The IUPAC name of 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane (CID 169182238) is 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane.
What is the SMILES notation for 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane?
The canonical SMILES for 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane is CC.CC.Cc1c(F)cc(F)c2sc(N)nc12.
What is the InChIKey of 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane?
The InChIKey is PRFNCXRBVJNWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2S.2C2H6/c1-3-4(9)2-5(10)7-6(3)12-8(11)13-7;2*1-2/h2H,1H3,(H2,11,12);2*1-2H3.
What are the key properties of 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane?
5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane has a molecular weight of 260.35 g/mol, XLogP of 4.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-4-methyl-1,3-benzothiazol-2-amine;ethane is sourced from PubChem (CID 169182238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).