N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine

C15H20N2S — CID 79860294

IUPACN-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC3CCCC3(C)C)cc2s1
InChIInChI=1S/C15H20N2S/c1-10-16-12-7-6-11(9-13(12)18-10)17-14-5-4-8-15(14,2)3/h6-7,9,14,17H,4-5,8H2,1-3H3
InChIKeyCQWMIUJTWIKPKN-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.60
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine

N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 79860294) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID79860294
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC3CCCC3(C)C)cc2s1
InChIInChI=1S/C15H20N2S/c1-10-16-12-7-6-11(9-13(12)18-10)17-14-5-4-8-15(14,2)3/h6-7,9,14,17H,4-5,8H2,1-3H3
InChIKeyCQWMIUJTWIKPKN-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-dimethylthian-3-yl)-2-methyl-1,3-benzothiazol-6-amine
CID 79948338
N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 79860507
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
N-(3,5-dimethylcyclohexyl)-2-methyl-1,3-benzothiazol-6-amine
CID 64751144
N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79871977
2-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-1,3-benzothiazol-6-amine
CID 115466125
N-(4-ethylcycloheptyl)-2-methyl-1,3-benzothiazol-6-amine
CID 65084135
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
1-N-(2,2-dimethylcyclopentyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297673
2-chloro-5-[(2,2-dimethylcyclopentyl)amino]benzoic acid
CID 79859610
3-chloro-N-(2,2-dimethylcyclopentyl)aniline
CID 79865179
2-methyl-6-(sulfinatoamino)-1,3-benzothiazole
CID 20746267

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine (CID 79860294) is N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(NC3CCCC3(C)C)cc2s1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is CQWMIUJTWIKPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-16-12-7-6-11(9-13(12)18-10)17-14-5-4-8-15(14,2)3/h6-7,9,14,17H,4-5,8H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine?
N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 260.41 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 79860294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).