N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine

C17H18N2S — CID 66356565

IUPACN-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine
SMILESCC(C)(CNc1snc2ccccc12)c1ccccc1
InChIInChI=1S/C17H18N2S/c1-17(2,13-8-4-3-5-9-13)12-18-16-14-10-6-7-11-15(14)19-20-16/h3-11,18H,12H2,1-2H3
InChIKeyRRYDFCUPNGZXMV-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.69
Rot. Bonds4

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

N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine (PubChem CID 66356565) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine
PubChem CID66356565
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC NameN-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine
SMILESCC(C)(CNc1snc2ccccc12)c1ccccc1
InChIInChI=1S/C17H18N2S/c1-17(2,13-8-4-3-5-9-13)12-18-16-14-10-6-7-11-15(14)19-20-16/h3-11,18H,12H2,1-2H3
InChIKeyRRYDFCUPNGZXMV-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine (CID 66356565) is N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine is CC(C)(CNc1snc2ccccc12)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine?
The InChIKey is RRYDFCUPNGZXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-17(2,13-8-4-3-5-9-13)12-18-16-14-10-6-7-11-15(14)19-20-16/h3-11,18H,12H2,1-2H3.
What are the key properties of N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine?
N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine has a molecular weight of 282.41 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-2,1-benzothiazol-3-amine is sourced from PubChem (CID 66356565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).