N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine

C13H14F2N2S — CID 82549515

IUPACN-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc(F)c2sc(NC3CCCCC3)nc12
InChIInChI=1S/C13H14F2N2S/c14-9-6-7-10(15)12-11(9)17-13(18-12)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
InChIKeyXLLUYDOMEKETFO-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.32
Rot. Bonds2

About N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine

N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine (PubChem CID 82549515) has the molecular formula C13H14F2N2S and a molecular weight of 268.33 g/mol. Its IUPAC name is N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine
PubChem CID82549515
Molecular FormulaC13H14F2N2S
Molecular Weight268.33 g/mol
Exact Mass268.08
IUPAC NameN-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc(F)c2sc(NC3CCCCC3)nc12
InChIInChI=1S/C13H14F2N2S/c14-9-6-7-10(15)12-11(9)17-13(18-12)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17)
InChIKeyXLLUYDOMEKETFO-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
7-chloro-N-cyclohexyl-4-ethoxy-1,3-benzothiazol-2-amine
CID 82548927
N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 82549483
6-chloro-N-cyclohexyl-4-nitro-1,3-benzothiazol-2-amine
CID 96710418
N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 155748502
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-cyclohexyl-6-(8-fluoroquinolin-4-yl)oxy-1,3-benzothiazol-2-amine
CID 89325762
4-chloro-N-cyclopentyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzothiazol-2-amine
CID 82548993
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-cyclohexyl-5-[2-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 73425292
[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl]-(2,4-difluorophenyl)methanone
CID 145140411
5-(4-chlorophenyl)-N-cyclopentyl-1,3,4-thiadiazol-2-amine
CID 6502471

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine (CID 82549515) is N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine is Fc1ccc(F)c2sc(NC3CCCCC3)nc12.
What is the InChIKey of N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine?
The InChIKey is XLLUYDOMEKETFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2S/c14-9-6-7-10(15)12-11(9)17-13(18-12)16-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,16,17).
What are the key properties of N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine?
N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine has a molecular weight of 268.33 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4,7-difluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).