N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine

C13H16N2S — CID 63547330

IUPACN-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NC3CC3(C)C)nc2c1
InChIInChI=1S/C13H16N2S/c1-8-4-5-10-9(6-8)14-12(16-10)15-11-7-13(11,2)3/h4-6,11H,7H2,1-3H3,(H,14,15)
InChIKeyQHCIVDKUAROEQO-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.82
Rot. Bonds2

About N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine

N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine (PubChem CID 63547330) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine
PubChem CID63547330
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(NC3CC3(C)C)nc2c1
InChIInChI=1S/C13H16N2S/c1-8-4-5-10-9(6-8)14-12(16-10)15-11-7-13(11,2)3/h4-6,11H,7H2,1-3H3,(H,14,15)
InChIKeyQHCIVDKUAROEQO-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine (CID 63547330) is N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine is Cc1ccc2sc(NC3CC3(C)C)nc2c1.
What is the InChIKey of N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine?
The InChIKey is QHCIVDKUAROEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8-4-5-10-9(6-8)14-12(16-10)15-11-7-13(11,2)3/h4-6,11H,7H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine?
N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine has a molecular weight of 232.35 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopropyl)-5-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 63547330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).