1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol

C11H10N4OS — CID 54525295

IUPAC1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cccc2nnsc12
InChIInChI=1S/C11H10N4OS/c1-15-6-5-12-11(15)9(16)7-3-2-4-8-10(7)17-14-13-8/h2-6,9,16H,1H3
InChIKeyYSRWHWQTYPWMQB-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.51
Rot. Bonds2

About 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol

1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol (PubChem CID 54525295) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol
PubChem CID54525295
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cccc2nnsc12
InChIInChI=1S/C11H10N4OS/c1-15-6-5-12-11(15)9(16)7-3-2-4-8-10(7)17-14-13-8/h2-6,9,16H,1H3
InChIKeyYSRWHWQTYPWMQB-UHFFFAOYSA-N
XLogP1.51
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol?
The IUPAC name of 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol (CID 54525295) is 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)c1cccc2nnsc12.
What is the InChIKey of 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol?
The InChIKey is YSRWHWQTYPWMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-15-6-5-12-11(15)9(16)7-3-2-4-8-10(7)17-14-13-8/h2-6,9,16H,1H3.
What are the key properties of 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol?
1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol has a molecular weight of 246.30 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzothiadiazol-7-yl-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 54525295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).