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

C13H14N4S — CID 117399668

IUPAC5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine
SMILESCC(C)c1nc2cc(-c3cc(N)n[nH]3)ccc2s1
InChIInChI=1S/C13H14N4S/c1-7(2)13-15-10-5-8(3-4-11(10)18-13)9-6-12(14)17-16-9/h3-7H,1-2H3,(H3,14,16,17)
InChIKeyQPHUCGDOZYBIHA-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.39
Rot. Bonds2

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

5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine (PubChem CID 117399668) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine
PubChem CID117399668
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine
SMILESCC(C)c1nc2cc(-c3cc(N)n[nH]3)ccc2s1
InChIInChI=1S/C13H14N4S/c1-7(2)13-15-10-5-8(3-4-11(10)18-13)9-6-12(14)17-16-9/h3-7H,1-2H3,(H3,14,16,17)
InChIKeyQPHUCGDOZYBIHA-UHFFFAOYSA-N
XLogP3.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine (CID 117399668) is 5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine is CC(C)c1nc2cc(-c3cc(N)n[nH]3)ccc2s1.
What is the InChIKey of 5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is QPHUCGDOZYBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-7(2)13-15-10-5-8(3-4-11(10)18-13)9-6-12(14)17-16-9/h3-7H,1-2H3,(H3,14,16,17).
What are the key properties of 5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine?
5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 258.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yl-1,3-benzothiazol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117399668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).