2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole

C11H9N3S — CID 3027589

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole
SMILESCc1cc(-c2nc3ccccc3s2)n[nH]1
InChIInChI=1S/C11H9N3S/c1-7-6-9(14-13-7)11-12-8-4-2-3-5-10(8)15-11/h2-6H,1H3,(H,13,14)
InChIKeyJQWLCFTWDLJOAZ-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.99
Rot. Bonds1

About 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole

2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole (PubChem CID 3027589) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole
PubChem CID3027589
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole
SMILESCc1cc(-c2nc3ccccc3s2)n[nH]1
InChIInChI=1S/C11H9N3S/c1-7-6-9(14-13-7)11-12-8-4-2-3-5-10(8)15-11/h2-6H,1H3,(H,13,14)
InChIKeyJQWLCFTWDLJOAZ-UHFFFAOYSA-N
XLogP2.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)benzothiazole
CID 32030
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2-(3,5-dimethyl-1H-pyrrol-2-yl)-1,3-benzothiazole
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4-Benzothiazol-2-YL-2H-pyrazol-3-ylamine
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4-Methyl-5-[3-(Methylsulfanyl)-1h-Pyrazol-5-Yl]-2-Thiophen-2-Yl-1,3-Thiazole
CID 2744426
N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]aniline
CID 9580553
4-Benzothiazol-2-YL-5-(3-methylamino-propyl)-2H-pyrazol-3-ylamine
CID 66768141
2-(1H-Pyrazol-5-yl)-1,3-benzothiazole
CID 24208803
2-(1H-pyrazol-4-yl)-1,3-benzothiazole
CID 45077572
US8754233, 4-Benzothiazol-2-yl-1H-pyrazole-3,5-diamine
CID 15651033
US8754233, 4-Benzothiazol-2-yl-5-ethyl-1H-pyrazol-3-ylamine
CID 28285639

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole (CID 3027589) is 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole is Cc1cc(-c2nc3ccccc3s2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole?
The InChIKey is JQWLCFTWDLJOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-7-6-9(14-13-7)11-12-8-4-2-3-5-10(8)15-11/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole?
2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole has a molecular weight of 215.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-1,3-benzothiazole is sourced from PubChem (CID 3027589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).