6-methoxy-1,3-benzothiazole;1H-pyrazole

C11H11N3OS — CID 66665168

IUPAC6-methoxy-1,3-benzothiazole;1H-pyrazole
SMILESCOc1ccc2ncsc2c1.c1cn[nH]c1
InChIInChI=1S/C8H7NOS.C3H4N2/c1-10-6-2-3-7-8(4-6)11-5-9-7;1-2-4-5-3-1/h2-5H,1H3;1-3H,(H,4,5)
InChIKeySQZFADHOSQFBJU-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.71
Rot. Bonds1

About 6-methoxy-1,3-benzothiazole;1H-pyrazole

6-methoxy-1,3-benzothiazole;1H-pyrazole (PubChem CID 66665168) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 6-methoxy-1,3-benzothiazole;1H-pyrazole.

Molecular Properties

Compound Name6-methoxy-1,3-benzothiazole;1H-pyrazole
PubChem CID66665168
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name6-methoxy-1,3-benzothiazole;1H-pyrazole
SMILESCOc1ccc2ncsc2c1.c1cn[nH]c1
InChIInChI=1S/C8H7NOS.C3H4N2/c1-10-6-2-3-7-8(4-6)11-5-9-7;1-2-4-5-3-1/h2-5H,1H3;1-3H,(H,4,5)
InChIKeySQZFADHOSQFBJU-UHFFFAOYSA-N
XLogP2.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,3-benzothiazole;1H-pyrazole?
The IUPAC name of 6-methoxy-1,3-benzothiazole;1H-pyrazole (CID 66665168) is 6-methoxy-1,3-benzothiazole;1H-pyrazole.
What is the SMILES notation for 6-methoxy-1,3-benzothiazole;1H-pyrazole?
The canonical SMILES for 6-methoxy-1,3-benzothiazole;1H-pyrazole is COc1ccc2ncsc2c1.c1cn[nH]c1.
What is the InChIKey of 6-methoxy-1,3-benzothiazole;1H-pyrazole?
The InChIKey is SQZFADHOSQFBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS.C3H4N2/c1-10-6-2-3-7-8(4-6)11-5-9-7;1-2-4-5-3-1/h2-5H,1H3;1-3H,(H,4,5).
What are the key properties of 6-methoxy-1,3-benzothiazole;1H-pyrazole?
6-methoxy-1,3-benzothiazole;1H-pyrazole has a molecular weight of 233.30 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,3-benzothiazole;1H-pyrazole is sourced from PubChem (CID 66665168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).