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

C17H14N2OS — CID 102912903

IUPAC[1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2nc3ccccc3s2)c1
InChIInChI=1S/C17H14N2OS/c20-11-12-5-6-15-13(9-12)7-8-19(15)10-17-18-14-3-1-2-4-16(14)21-17/h1-9,20H,10-11H2
InChIKeyJJNMUOMUESTIMY-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.79
Rot. Bonds3

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

[1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol (PubChem CID 102912903) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol
PubChem CID102912903
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name[1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2nc3ccccc3s2)c1
InChIInChI=1S/C17H14N2OS/c20-11-12-5-6-15-13(9-12)7-8-19(15)10-17-18-14-3-1-2-4-16(14)21-17/h1-9,20H,10-11H2
InChIKeyJJNMUOMUESTIMY-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1,3-benzothiazol-2-ylmethyl)indazol-5-yl]methanol
CID 51352254
[1-(1,3-benzothiazol-2-ylmethyl)indol-7-yl]methanol
CID 102912323
2-[(4-fluoroindol-1-yl)methyl]-1,3-benzothiazole
CID 104632094
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
[4-(1,3-benzothiazol-2-ylmethoxy)-3-chlorophenyl]methanol
CID 115761235
(2-benzyl-1,3-benzothiazol-6-yl)methanol
CID 177267046
[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol
CID 102912858
[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
CID 102912443
1-(1,3-benzothiazol-2-ylmethyl)-5-bromopyrrole-3-carboxylic acid
CID 104631356
[1-(2-thiophen-2-ylethyl)indol-5-yl]methanol
CID 102912527
[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912836
[1-[(E)-but-2-enyl]indol-5-yl]methanol
CID 102912660

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol?
The IUPAC name of [1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol (CID 102912903) is [1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol.
What is the SMILES notation for [1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol?
The canonical SMILES for [1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol is OCc1ccc2c(ccn2Cc2nc3ccccc3s2)c1.
What is the InChIKey of [1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol?
The InChIKey is JJNMUOMUESTIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-11-12-5-6-15-13(9-12)7-8-19(15)10-17-18-14-3-1-2-4-16(14)21-17/h1-9,20H,10-11H2.
What are the key properties of [1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol?
[1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol has a molecular weight of 294.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-ylmethyl)indol-5-yl]methanol is sourced from PubChem (CID 102912903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).