N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine

C21H24N2S — CID 155748502

IUPACN-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc(C)c1-c1cccc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C21H24N2S/c1-14-8-6-9-15(2)19(14)17-12-7-13-18-20(17)23-21(24-18)22-16-10-4-3-5-11-16/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,22,23)
InChIKeyAFNAWYICMVMTGT-UHFFFAOYSA-N
MW336.50 g/mol
LogP6.32
Rot. Bonds3

About N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine

N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 155748502) has the molecular formula C21H24N2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
PubChem CID155748502
Molecular FormulaC21H24N2S
Molecular Weight336.50 g/mol
Exact Mass336.17
IUPAC NameN-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc(C)c1-c1cccc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C21H24N2S/c1-14-8-6-9-15(2)19(14)17-12-7-13-18-20(17)23-21(24-18)22-16-10-4-3-5-11-16/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,22,23)
InChIKeyAFNAWYICMVMTGT-UHFFFAOYSA-N
XLogP6.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.50
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 82549483
4-methyl-N-(1-methylpiperidin-3-yl)-1,3-benzothiazol-2-amine
CID 79147278
4-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzothiazol-2-amine
CID 79129229
4-methyl-N-(1-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 79146325
4-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 79130669
4-(2,4,6-trimethylphenyl)-N-(trimethylsilylmethyl)-1,3-benzothiazol-2-amine
CID 163209348
N-(2-cyclohexylethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146937
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-(2-cyclopentyloxyethyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146693
N-(2-methoxycyclopentyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147030
6-cyclohexyloxy-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150062
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine (CID 155748502) is N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine is Cc1cccc(C)c1-c1cccc2sc(NC3CCCCC3)nc12.
What is the InChIKey of N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is AFNAWYICMVMTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2S/c1-14-8-6-9-15(2)19(14)17-12-7-13-18-20(17)23-21(24-18)22-16-10-4-3-5-11-16/h6-9,12-13,16H,3-5,10-11H2,1-2H3,(H,22,23).
What are the key properties of N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine?
N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 336.50 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,6-dimethylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 155748502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).