N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine

C13H16N2S — CID 43682682

IUPACN-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC(C)C3CC3)cc2s1
InChIInChI=1S/C13H16N2S/c1-8(10-3-4-10)14-11-5-6-12-13(7-11)16-9(2)15-12/h5-8,10,14H,3-4H2,1-2H3
InChIKeyODLOJNLJXPYOSL-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.82
Rot. Bonds3

About N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine

N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43682682) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43682682
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC(C)C3CC3)cc2s1
InChIInChI=1S/C13H16N2S/c1-8(10-3-4-10)14-11-5-6-12-13(7-11)16-9(2)15-12/h5-8,10,14H,3-4H2,1-2H3
InChIKeyODLOJNLJXPYOSL-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine (CID 43682682) is N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(NC(C)C3CC3)cc2s1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is ODLOJNLJXPYOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-8(10-3-4-10)14-11-5-6-12-13(7-11)16-9(2)15-12/h5-8,10,14H,3-4H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine?
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 232.35 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43682682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).