[2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol

C12H9ClN2OS — CID 141207781

IUPAC[2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cc3ccc(Cl)cc3[nH]2)s1
InChIInChI=1S/C12H9ClN2OS/c13-8-2-1-7-3-11(15-10(7)4-8)12-14-5-9(6-16)17-12/h1-5,15-16H,6H2
InChIKeyADHQDWVHKJNXTN-UHFFFAOYSA-N
MW264.74 g/mol
LogP3.44
Rot. Bonds2

About [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol

[2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 141207781) has the molecular formula C12H9ClN2OS and a molecular weight of 264.74 g/mol. Its IUPAC name is [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID141207781
Molecular FormulaC12H9ClN2OS
Molecular Weight264.74 g/mol
Exact Mass264.01
IUPAC Name[2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol
SMILESOCc1cnc(-c2cc3ccc(Cl)cc3[nH]2)s1
InChIInChI=1S/C12H9ClN2OS/c13-8-2-1-7-3-11(15-10(7)4-8)12-14-5-9(6-16)17-12/h1-5,15-16H,6H2
InChIKeyADHQDWVHKJNXTN-UHFFFAOYSA-N
XLogP3.44
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.74
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-5-yl]methanol
CID 130713176
2-(6-chloro-1H-indol-2-yl)ethanol
CID 83674317
3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine
CID 136985599
6-chloro-2-(6-chloro-1H-indol-3-yl)-1H-indole
CID 177408697
2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113884
[2-[7-[methyl(thiophen-2-ylsulfanyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol
CID 126635131
3-(6-chloro-1H-indol-2-yl)propan-1-ol
CID 119085344
5-(6-chloro-1H-indol-2-yl)pyridine-3-carbaldehyde
CID 58215712
[2-[2-(difluoromethoxy)-4,5-difluorophenyl]-1,3-thiazol-5-yl]methanol
CID 178132888
[2-[5-(4-methylphenoxy)-7-phenylmethoxy-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol
CID 58237081
[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]methanol
CID 116878314
6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole
CID 118657842

Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol (CID 141207781) is [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol is OCc1cnc(-c2cc3ccc(Cl)cc3[nH]2)s1.
What is the InChIKey of [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is ADHQDWVHKJNXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2OS/c13-8-2-1-7-3-11(15-10(7)4-8)12-14-5-9(6-16)17-12/h1-5,15-16H,6H2.
What are the key properties of [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol?
[2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 264.74 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 141207781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).