3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol

C16H12N2OS — CID 143131565

IUPAC3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(-c3nc4ccccc4s3)c2c1
InChIInChI=1S/C16H12N2OS/c1-9-6-7-11-10(8-9)14(15(19)17-11)16-18-12-4-2-3-5-13(12)20-16/h2-8,17,19H,1H3
InChIKeyOEASSRIEUKVKBR-UHFFFAOYSA-N
MW280.35 g/mol
LogP4.46
Rot. Bonds1

About 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol

3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol (PubChem CID 143131565) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol
PubChem CID143131565
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(-c3nc4ccccc4s3)c2c1
InChIInChI=1S/C16H12N2OS/c1-9-6-7-11-10(8-9)14(15(19)17-11)16-18-12-4-2-3-5-13(12)20-16/h2-8,17,19H,1H3
InChIKeyOEASSRIEUKVKBR-UHFFFAOYSA-N
XLogP4.46
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol (CID 143131565) is 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol is Cc1ccc2[nH]c(O)c(-c3nc4ccccc4s3)c2c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol?
The InChIKey is OEASSRIEUKVKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c1-9-6-7-11-10(8-9)14(15(19)17-11)16-18-12-4-2-3-5-13(12)20-16/h2-8,17,19H,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol?
3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol has a molecular weight of 280.35 g/mol, XLogP of 4.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-5-methyl-1H-indol-2-ol is sourced from PubChem (CID 143131565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).