2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine

C16H17N3S — CID 173095043

IUPAC2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
SMILESCC(C)(Nc1nc2ccc(N)cc2s1)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-16(2,11-6-4-3-5-7-11)19-15-18-13-9-8-12(17)10-14(13)20-15/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyLVMAZFMJGLGCOI-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.23
Rot. Bonds3

About 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine

2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine (PubChem CID 173095043) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
PubChem CID173095043
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine
SMILESCC(C)(Nc1nc2ccc(N)cc2s1)c1ccccc1
InChIInChI=1S/C16H17N3S/c1-16(2,11-6-4-3-5-7-11)19-15-18-13-9-8-12(17)10-14(13)20-15/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyLVMAZFMJGLGCOI-UHFFFAOYSA-N
XLogP4.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.23
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

2-N-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazole-2,6-diamine
CID 55186171
3-[(6-amino-1,3-benzothiazol-2-yl)amino]-3-methylbutanamide
CID 114142761
2-N-[2-(dimethylamino)-2-methylpropyl]-1,3-benzothiazole-2,6-diamine
CID 63231257
2-N-(2-ethylphenyl)-1,3-benzothiazole-2,6-diamine
CID 63402819
1-(6-amino-1,3-benzothiazol-2-yl)-3-tert-butylurea
CID 28785701
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
2-N-(2-ethoxy-2-methylpropyl)-1,3-benzothiazole-2,6-diamine
CID 114940589
2-(3-tert-butylphenoxy)-1,3-benzothiazol-6-amine
CID 63456627
2-N-(3-propan-2-ylphenyl)-1,3-benzothiazole-2,6-diamine
CID 63402912
6-tert-butyl-N-(6-tert-butyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 58672198
2-[2-(6-amino-1,3-benzothiazol-2-yl)phenyl]-1,3-benzothiazol-6-amine
CID 4649602
2-N-(4-methylpentyl)-1,3-benzothiazole-2,6-diamine
CID 55175156

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine (CID 173095043) is 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine is CC(C)(Nc1nc2ccc(N)cc2s1)c1ccccc1.
What is the InChIKey of 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine?
The InChIKey is LVMAZFMJGLGCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-16(2,11-6-4-3-5-7-11)19-15-18-13-9-8-12(17)10-14(13)20-15/h3-10H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine?
2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine has a molecular weight of 283.40 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenylpropan-2-yl)-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 173095043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).