6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine

C13H12N4S — CID 122184534

IUPAC6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cnn(C4CC4)c3)cc2s1
InChIInChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16)
InChIKeyLQRDKLHMFKXYHC-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.08
Rot. Bonds2

About 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine

6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 122184534) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine
PubChem CID122184534
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3cnn(C4CC4)c3)cc2s1
InChIInChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16)
InChIKeyLQRDKLHMFKXYHC-UHFFFAOYSA-N
XLogP3.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine (CID 122184534) is 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3cnn(C4CC4)c3)cc2s1.
What is the InChIKey of 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is LQRDKLHMFKXYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c14-13-16-11-4-1-8(5-12(11)18-13)9-6-15-17(7-9)10-2-3-10/h1,4-7,10H,2-3H2,(H2,14,16).
What are the key properties of 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine?
6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpyrazol-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).