N-tert-butyl-1,2-benzothiazol-5-amine

C11H14N2S — CID 58710019

IUPACN-tert-butyl-1,2-benzothiazol-5-amine
SMILESCC(C)(C)Nc1ccc2sncc2c1
InChIInChI=1S/C11H14N2S/c1-11(2,3)13-9-4-5-10-8(6-9)7-12-14-10/h4-7,13H,1-3H3
InChIKeyQRUZUCSVXHNXTI-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.51
Rot. Bonds1

About N-tert-butyl-1,2-benzothiazol-5-amine

N-tert-butyl-1,2-benzothiazol-5-amine (PubChem CID 58710019) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N-tert-butyl-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-1,2-benzothiazol-5-amine
PubChem CID58710019
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN-tert-butyl-1,2-benzothiazol-5-amine
SMILESCC(C)(C)Nc1ccc2sncc2c1
InChIInChI=1S/C11H14N2S/c1-11(2,3)13-9-4-5-10-8(6-9)7-12-14-10/h4-7,13H,1-3H3
InChIKeyQRUZUCSVXHNXTI-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,2-benzothiazol-5-amine?
The IUPAC name of N-tert-butyl-1,2-benzothiazol-5-amine (CID 58710019) is N-tert-butyl-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-tert-butyl-1,2-benzothiazol-5-amine?
The canonical SMILES for N-tert-butyl-1,2-benzothiazol-5-amine is CC(C)(C)Nc1ccc2sncc2c1.
What is the InChIKey of N-tert-butyl-1,2-benzothiazol-5-amine?
The InChIKey is QRUZUCSVXHNXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-11(2,3)13-9-4-5-10-8(6-9)7-12-14-10/h4-7,13H,1-3H3.
What are the key properties of N-tert-butyl-1,2-benzothiazol-5-amine?
N-tert-butyl-1,2-benzothiazol-5-amine has a molecular weight of 206.31 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,2-benzothiazol-5-amine is sourced from PubChem (CID 58710019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).