2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine

C13H20N4S — CID 63231257

IUPAC2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine
SMILESCN(C)C(C)(C)CNc1nc2ccc(N)cc2s1
InChIInChI=1S/C13H20N4S/c1-13(2,17(3)4)8-15-12-16-10-6-5-9(14)7-11(10)18-12/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyWRBVFBXIOSXRHF-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.63
Rot. Bonds4

About 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine

2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine (PubChem CID 63231257) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine
PubChem CID63231257
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine
SMILESCN(C)C(C)(C)CNc1nc2ccc(N)cc2s1
InChIInChI=1S/C13H20N4S/c1-13(2,17(3)4)8-15-12-16-10-6-5-9(14)7-11(10)18-12/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKeyWRBVFBXIOSXRHF-UHFFFAOYSA-N
XLogP2.63
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.63
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

2-N-(2-ethoxy-2-methylpropyl)-1,3-benzothiazole-2,6-diamine
CID 114940589
1-N-(1,3-benzothiazol-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 54940995
5-[(6-amino-1,3-benzothiazol-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106141110
2-N-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazole-2,6-diamine
CID 55186171
3-[2-[(6-amino-1,3-benzothiazol-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83116702
2-N-(4-methylpentyl)-1,3-benzothiazole-2,6-diamine
CID 55175156
2-N-(3-methylsulfanylpropyl)-1,3-benzothiazole-2,6-diamine
CID 63983124
2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
CID 173095043
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
3-[(6-amino-1,3-benzothiazol-2-yl)amino]-3-methylbutanamide
CID 114142761
2-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 114515038
1-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylurea
CID 28785701

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine (CID 63231257) is 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine is CN(C)C(C)(C)CNc1nc2ccc(N)cc2s1.
What is the InChIKey of 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine?
The InChIKey is WRBVFBXIOSXRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-13(2,17(3)4)8-15-12-16-10-6-5-9(14)7-11(10)18-12/h5-7H,8,14H2,1-4H3,(H,15,16).
What are the key properties of 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine?
2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine has a molecular weight of 264.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63231257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).