5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine

C14H19N3S — CID 79861399

IUPAC5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine
SMILESCC1(C)CCCC1Nc1ccc2scnc2c1N
InChIInChI=1S/C14H19N3S/c1-14(2)7-3-4-11(14)17-9-5-6-10-13(12(9)15)16-8-18-10/h5-6,8,11,17H,3-4,7,15H2,1-2H3
InChIKeyCQJYZVPKPYTEQD-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.87
Rot. Bonds2

About 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine

5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine (PubChem CID 79861399) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine
PubChem CID79861399
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine
SMILESCC1(C)CCCC1Nc1ccc2scnc2c1N
InChIInChI=1S/C14H19N3S/c1-14(2)7-3-4-11(14)17-9-5-6-10-13(12(9)15)16-8-18-10/h5-6,8,11,17H,3-4,7,15H2,1-2H3
InChIKeyCQJYZVPKPYTEQD-UHFFFAOYSA-N
XLogP3.87
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzothiazole-4,5-diamine
CID 79352825
5-N-(2-methyloxolan-3-yl)-1,3-benzothiazole-4,5-diamine
CID 82726233
5-N-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-benzothiazole-4,5-diamine
CID 43451270
5-N-(1-cyclohexylethyl)-1,3-benzothiazole-4,5-diamine
CID 62407869
5-N-[(4-ethylcyclohexyl)methyl]-1,3-benzothiazole-4,5-diamine
CID 63406027
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine
CID 105413922
N-(2,2-dimethylcyclopentyl)-8-methylquinolin-5-amine
CID 79860412
5-N-(1-cyclopropylpropan-2-yl)-1,3-benzothiazole-4,5-diamine
CID 63990337
N-(2,2-dimethylcyclopentyl)-3-methylpyrazin-2-amine
CID 83064774
2-bromo-N-(2,2-dimethylcyclopentyl)-4-methylaniline
CID 79864735
4-N-(2,2-dimethylcyclopentyl)-2-methylbenzene-1,4-diamine
CID 79862138
1-N-(2,2-dimethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 79861808

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine?
The IUPAC name of 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine (CID 79861399) is 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine.
What is the SMILES notation for 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine?
The canonical SMILES for 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine is CC1(C)CCCC1Nc1ccc2scnc2c1N.
What is the InChIKey of 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine?
The InChIKey is CQJYZVPKPYTEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-14(2)7-3-4-11(14)17-9-5-6-10-13(12(9)15)16-8-18-10/h5-6,8,11,17H,3-4,7,15H2,1-2H3.
What are the key properties of 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine?
5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine has a molecular weight of 261.39 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine is sourced from PubChem (CID 79861399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).