N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine

C13H16N2S — CID 115929163

IUPACN-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine
SMILESCCC(Nc1ccc2ncsc2c1)C1CC1
InChIInChI=1S/C13H16N2S/c1-2-11(9-3-4-9)15-10-5-6-12-13(7-10)16-8-14-12/h5-9,11,15H,2-4H2,1H3
InChIKeyBQSBUKNZBYVTSQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.90
Rot. Bonds4

About N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine

N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine (PubChem CID 115929163) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine
PubChem CID115929163
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine
SMILESCCC(Nc1ccc2ncsc2c1)C1CC1
InChIInChI=1S/C13H16N2S/c1-2-11(9-3-4-9)15-10-5-6-12-13(7-10)16-8-14-12/h5-9,11,15H,2-4H2,1H3
InChIKeyBQSBUKNZBYVTSQ-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine?
The IUPAC name of N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine (CID 115929163) is N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine is CCC(Nc1ccc2ncsc2c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine?
The InChIKey is BQSBUKNZBYVTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-11(9-3-4-9)15-10-5-6-12-13(7-10)16-8-14-12/h5-9,11,15H,2-4H2,1H3.
What are the key properties of N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine?
N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine has a molecular weight of 232.35 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 115929163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).