2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine

C14H16N4S — CID 66203630

IUPAC2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine
SMILESCCc1cc(-c2nc3ccc(N)cc3s2)n(CC)n1
InChIInChI=1S/C14H16N4S/c1-3-10-8-12(18(4-2)17-10)14-16-11-6-5-9(15)7-13(11)19-14/h5-8H,3-4,15H2,1-2H3
InChIKeySIJRSQOFKXKWBY-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.32
Rot. Bonds3

About 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine

2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine (PubChem CID 66203630) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine
PubChem CID66203630
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine
SMILESCCc1cc(-c2nc3ccc(N)cc3s2)n(CC)n1
InChIInChI=1S/C14H16N4S/c1-3-10-8-12(18(4-2)17-10)14-16-11-6-5-9(15)7-13(11)19-14/h5-8H,3-4,15H2,1-2H3
InChIKeySIJRSQOFKXKWBY-UHFFFAOYSA-N
XLogP3.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine (CID 66203630) is 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine is CCc1cc(-c2nc3ccc(N)cc3s2)n(CC)n1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine?
The InChIKey is SIJRSQOFKXKWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-3-10-8-12(18(4-2)17-10)14-16-11-6-5-9(15)7-13(11)19-14/h5-8H,3-4,15H2,1-2H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine?
2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine has a molecular weight of 272.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 66203630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).