6-pyrazol-1-yl-1,3-benzothiazol-2-amine

C10H8N4S — CID 82393654

IUPAC6-pyrazol-1-yl-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-n3cccn3)cc2s1
InChIInChI=1S/C10H8N4S/c11-10-13-8-3-2-7(6-9(8)15-10)14-5-1-4-12-14/h1-6H,(H2,11,13)
InChIKeyKIUFSSHYAHMHTK-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.06
Rot. Bonds1

About 6-pyrazol-1-yl-1,3-benzothiazol-2-amine

6-pyrazol-1-yl-1,3-benzothiazol-2-amine (PubChem CID 82393654) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 6-pyrazol-1-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-pyrazol-1-yl-1,3-benzothiazol-2-amine
PubChem CID82393654
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name6-pyrazol-1-yl-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-n3cccn3)cc2s1
InChIInChI=1S/C10H8N4S/c11-10-13-8-3-2-7(6-9(8)15-10)14-5-1-4-12-14/h1-6H,(H2,11,13)
InChIKeyKIUFSSHYAHMHTK-UHFFFAOYSA-N
XLogP2.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(6-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 121275215
N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
CID 59406381
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
6-N-phenyl-1,3-benzothiazole-2,6-diamine
CID 21455645
(2-amino-1,3-benzothiazol-6-yl)boronic acid
CID 119086634
6-pyrazol-1-yl-2-[9-(3-pyrazol-1-yl-5-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142328953
6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
CID 163173457
2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
CID 158604119
CID 158604119

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-pyrazol-1-yl-1,3-benzothiazol-2-amine (CID 82393654) is 6-pyrazol-1-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-pyrazol-1-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-pyrazol-1-yl-1,3-benzothiazol-2-amine is Nc1nc2ccc(-n3cccn3)cc2s1.
What is the InChIKey of 6-pyrazol-1-yl-1,3-benzothiazol-2-amine?
The InChIKey is KIUFSSHYAHMHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-10-13-8-3-2-7(6-9(8)15-10)14-5-1-4-12-14/h1-6H,(H2,11,13).
What are the key properties of 6-pyrazol-1-yl-1,3-benzothiazol-2-amine?
6-pyrazol-1-yl-1,3-benzothiazol-2-amine has a molecular weight of 216.27 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82393654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).