[2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol

C16H13N3OS — CID 51352254

IUPAC[2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol
SMILESOCc1ccc2nn(Cc3nc4ccccc4s3)cc2c1
InChIInChI=1S/C16H13N3OS/c20-10-11-5-6-13-12(7-11)8-19(18-13)9-16-17-14-3-1-2-4-15(14)21-16/h1-8,20H,9-10H2
InChIKeyXCAABKFEHLJZFQ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.19
Rot. Bonds3

About [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol

[2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol (PubChem CID 51352254) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol
PubChem CID51352254
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name[2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol
SMILESOCc1ccc2nn(Cc3nc4ccccc4s3)cc2c1
InChIInChI=1S/C16H13N3OS/c20-10-11-5-6-13-12(7-11)8-19(18-13)9-16-17-14-3-1-2-4-15(14)21-16/h1-8,20H,9-10H2
InChIKeyXCAABKFEHLJZFQ-UHFFFAOYSA-N
XLogP3.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol
CID 102912903
(2-benzyl-1,3-benzothiazol-6-yl)methanol
CID 177267046
N-[[1-(1,3-benzothiazol-2-ylmethyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 104632133
2-benzylindazol-5-ol
CID 118954464
2-[(4-iodopyrazol-1-yl)methyl]-1,3-benzothiazole
CID 112692363
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 115761235
2-[[3-(3-pyrazin-2-ylphenyl)pyrazol-1-yl]methyl]-1,3-benzothiazole
CID 29254823
1,3-benzothiazol-2-ylmethyl 4-(hydroxymethyl)benzoate
CID 2537834
methyl 1-(1,3-benzothiazol-2-ylmethyl)triazole-4-carboxylate
CID 103107574
2-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 112769518
[1-(1,3-benzothiazol-2-ylmethyl)indol-7-yl]methanol
CID 102912323
N-[[1-(1,3-benzothiazol-2-ylmethyl)triazol-4-yl]methyl]propan-1-amine
CID 66193350

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol?
The IUPAC name of [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol (CID 51352254) is [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol.
What is the SMILES notation for [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol?
The canonical SMILES for [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol is OCc1ccc2nn(Cc3nc4ccccc4s3)cc2c1.
What is the InChIKey of [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol?
The InChIKey is XCAABKFEHLJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c20-10-11-5-6-13-12(7-11)8-19(18-13)9-16-17-14-3-1-2-4-15(14)21-16/h1-8,20H,9-10H2.
What are the key properties of [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol?
[2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol has a molecular weight of 295.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol is sourced from PubChem (CID 51352254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).