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

C13H12N2OS — CID 112641646

IUPAC[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol
SMILESOCc1cn(Cc2cncs2)c2ccccc12
InChIInChI=1S/C13H12N2OS/c16-8-10-6-15(7-11-5-14-9-17-11)13-4-2-1-3-12(10)13/h1-6,9,16H,7-8H2
InChIKeyZEKWYGHZWBUHBR-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.64
Rot. Bonds3

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

[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol (PubChem CID 112641646) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is [1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol
PubChem CID112641646
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol
SMILESOCc1cn(Cc2cncs2)c2ccccc12
InChIInChI=1S/C13H12N2OS/c16-8-10-6-15(7-11-5-14-9-17-11)13-4-2-1-3-12(10)13/h1-6,9,16H,7-8H2
InChIKeyZEKWYGHZWBUHBR-UHFFFAOYSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]ethanamine
CID 112644320
4-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]butan-1-amine
CID 115979486
N-methyl-3-[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]propan-1-amine
CID 115979503
[1-[(5-ethylthiophen-2-yl)methyl]indol-3-yl]methanol
CID 66397807
[1-(1H-indol-3-ylmethyl)indol-3-yl]methanol
CID 86183911
1-(1,3-thiazol-5-ylmethyl)indole-4-carboxylic acid
CID 112641074
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 107236288
[1-[(5-methyl-2-pyridinyl)methyl]indol-3-yl]methanol
CID 118617480
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222
2-amino-3-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]propan-1-ol
CID 170892903
[1-(1,3-thiazol-5-ylmethyl)indazol-3-yl]methanamine
CID 112644531
2-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]indol-3-yl]ethanamine
CID 170887891

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol?
The IUPAC name of [1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol (CID 112641646) is [1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol.
What is the SMILES notation for [1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol?
The canonical SMILES for [1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol is OCc1cn(Cc2cncs2)c2ccccc12.
What is the InChIKey of [1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol?
The InChIKey is ZEKWYGHZWBUHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c16-8-10-6-15(7-11-5-14-9-17-11)13-4-2-1-3-12(10)13/h1-6,9,16H,7-8H2.
What are the key properties of [1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol?
[1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol has a molecular weight of 244.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-thiazol-5-ylmethyl)indol-3-yl]methanol is sourced from PubChem (CID 112641646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).