N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine

C15H19FN2S — CID 79871977

IUPACN-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESCC1(C)CCCCC1Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H19FN2S/c1-15(2)8-4-3-5-13(15)18-14-17-11-7-6-10(16)9-12(11)19-14/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyFNDWUGTUCIDDSS-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.82
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine

N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine (PubChem CID 79871977) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine
PubChem CID79871977
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine
SMILESCC1(C)CCCCC1Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C15H19FN2S/c1-15(2)8-4-3-5-13(15)18-14-17-11-7-6-10(16)9-12(11)19-14/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyFNDWUGTUCIDDSS-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
CID 79860294
N-(2,2-dimethylcyclohexyl)-4-fluoroaniline
CID 79828345
6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 113491209
N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 79870218
1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
1-N-(2,2-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 79860994
N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144535
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 105419340
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 7110038
6-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,3-benzothiazol-2-amine
CID 79127853
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
CID 144829885

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine (CID 79871977) is N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine is CC1(C)CCCCC1Nc1nc2ccc(F)cc2s1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is FNDWUGTUCIDDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-15(2)8-4-3-5-13(15)18-14-17-11-7-6-10(16)9-12(11)19-14/h6-7,9,13H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine?
N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 278.40 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79871977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).