5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine

C14H20N4S — CID 105413922

IUPAC5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine
SMILESCN(C)C1(CNc2ccc3scnc3c2N)CCC1
InChIInChI=1S/C14H20N4S/c1-18(2)14(6-3-7-14)8-16-10-4-5-11-13(12(10)15)17-9-19-11/h4-5,9,16H,3,6-8,15H2,1-2H3
InChIKeyAILJPHCAUFHWMC-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.77
Rot. Bonds4

About 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine

5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine (PubChem CID 105413922) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine
PubChem CID105413922
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine
SMILESCN(C)C1(CNc2ccc3scnc3c2N)CCC1
InChIInChI=1S/C14H20N4S/c1-18(2)14(6-3-7-14)8-16-10-4-5-11-13(12(10)15)17-9-19-11/h4-5,9,16H,3,6-8,15H2,1-2H3
InChIKeyAILJPHCAUFHWMC-UHFFFAOYSA-N
XLogP2.77
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-[2-[ethyl(methyl)amino]ethyl]-1,3-benzothiazole-4,5-diamine
CID 55097949
5-N-[(4-ethylcyclohexyl)methyl]-1,3-benzothiazole-4,5-diamine
CID 63406027
5-N-(2,2-dimethylcyclopentyl)-1,3-benzothiazole-4,5-diamine
CID 79861399
5-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-benzothiazole-4,5-diamine
CID 79352825
5-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzothiazole-4,5-diamine
CID 106007437
5-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazole-4,5-diamine
CID 114169082
5-[(4-amino-1,3-benzothiazol-5-yl)amino]pentan-1-ol
CID 107316527
4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine
CID 105413899
3-chloro-1-N-[[1-(dimethylamino)cyclopentyl]methyl]benzene-1,2-diamine
CID 104834814
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-methylpyridine-2,5-diamine
CID 105413965
2-[(4-amino-1,3-benzothiazol-5-yl)amino]propane-1,3-diol
CID 65315305
5-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazole-4,5-diamine
CID 114129613

Frequently Asked Questions

What is the IUPAC name of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine?
The IUPAC name of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine (CID 105413922) is 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine.
What is the SMILES notation for 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine?
The canonical SMILES for 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine is CN(C)C1(CNc2ccc3scnc3c2N)CCC1.
What is the InChIKey of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine?
The InChIKey is AILJPHCAUFHWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-18(2)14(6-3-7-14)8-16-10-4-5-11-13(12(10)15)17-9-19-11/h4-5,9,16H,3,6-8,15H2,1-2H3.
What are the key properties of 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine?
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-benzothiazole-4,5-diamine is sourced from PubChem (CID 105413922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).