4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine

C14H16N6S — CID 66768108

IUPAC4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine
SMILESNc1[nH]nc(N2CCNCC2)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H16N6S/c15-12-11(13(19-18-12)20-7-5-16-6-8-20)14-17-9-3-1-2-4-10(9)21-14/h1-4,16H,5-8H2,(H3,15,18,19)
InChIKeyFIJKJYNYFHYOLF-UHFFFAOYSA-N
MW300.39 g/mol
LogP1.68
Rot. Bonds2

About 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine

4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine (PubChem CID 66768108) has the molecular formula C14H16N6S and a molecular weight of 300.39 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine
PubChem CID66768108
Molecular FormulaC14H16N6S
Molecular Weight300.39 g/mol
Exact Mass300.12
IUPAC Name4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine
SMILESNc1[nH]nc(N2CCNCC2)c1-c1nc2ccccc2s1
InChIInChI=1S/C14H16N6S/c15-12-11(13(19-18-12)20-7-5-16-6-8-20)14-17-9-3-1-2-4-10(9)21-14/h1-4,16H,5-8H2,(H3,15,18,19)
InChIKeyFIJKJYNYFHYOLF-UHFFFAOYSA-N
XLogP1.68
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine (CID 66768108) is 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine is Nc1[nH]nc(N2CCNCC2)c1-c1nc2ccccc2s1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine?
The InChIKey is FIJKJYNYFHYOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6S/c15-12-11(13(19-18-12)20-7-5-16-6-8-20)14-17-9-3-1-2-4-10(9)21-14/h1-4,16H,5-8H2,(H3,15,18,19).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine?
4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine has a molecular weight of 300.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-yl)-3-piperazin-1-yl-1H-pyrazol-5-amine is sourced from PubChem (CID 66768108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).